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VOLUME
III
INTERNATIONAL TABLES
FOR
X-RAY CRYSTALLOGRAPHY
FOR
FOR
SYMMETRY GROUPS
VOL. II. MATHEMATICAL TABLES
PHYSICAL AND CHEMICAL TABLES
III.
VOL.
VOL.
I.
Published for
THE INTERNATIONAL UNION OF CRYSTALLOGRAPHY

by
THE KYNOCH PRESS

BIRMINGHAM, ENGLAND
1968
Set in 'Monotype' Times
Made and
at
New Roman
printed in Great Britain
THE KYNOCH PRESS

Birmingham, England
1st edition
1962
2nd
1968
edition, reprinted with corrections
,.
x^nm
IN""l
FOR
Volume
III
PHYSICAL AND CHEMICAL TABLES

Editors
CAROLINE
H.
MACGILLAVRY
and
GERARD
D.
General Editor
KATHLEEN LONSDALE
EDITORIAL COMMITTEE
OF THE
INTERNATIONAL UNION OF CRYSTALLOGRAPHY
Martin
J.
Caroline H. MacGillavry
Norman
U.S.A.
Buerger
F.
M. Henry
Kathleen Lonsdale (Chairman)
Gerard D. Rieck
The Netherlands
Great Britain
Great Britain
The Netherlands
RIECK
The publication of Volume
of these Tables was
possible by very generous financial help
from
made
UNESCO
and from the U.S.A. National Research Council. This

aid has indirectly also
Volumes
II
and
III.
made
The
possible the publication of
Editorial
Commission wishes
to express its sincere gratitude to both these organizations.
CONTENTS
PAGE
Introduction
(C.
H. MacGillavry and G. D. Rieck)
Purpose, Scope and Arrangement of the Tables
1.
Examination and Preparation of Specimens

1.1.
Study (C. H. MacGillavry and

Preliminary Investigation and Selection of Crystals for X-ray
N.
F.
M. Henry)
Introduction
of Specimen and Preparation for X-ray Work

1.1.1.1. Selection of the Specimen
1.1.1.2. Preparation of the Specimen
1.1.1.3. Orientation of the Specimen
1.1.2. Preliminary Information about the Structure
Preliminary Study of Crystals
Table 2.2, Use of Crystal Properties for Selection and
1.1.1. Selection
1.1.
References
Meyrowitz)
Immersion Media for Measurement of Index of Refraction (E. S. Larsen, Jr. and R.
1.2.1. Media for General Use
Refraction
Table 1.2.1. Immersion Liquids for Measurement of Index of
Liquids
Immersion
concerning
Details
1.2.2.
1.2.3. Media for Organic Substances
Liquids for Organic Crystals
Table 1.23 A. Aqueous Solutions for Use as Immersion
Crystals of Low Solubility
Organic
with
Use
Liquids
for
Table 1.2.3B. Immersion
1.2.
14
14
15
15
15
15
1.2.
1.3.
References.
Determination of the Density of Solids (F. M, Richards and

1.3.1. Introduction
1.3.1.1. General Precautions
1.3.2. Description and Discussion of Techniques
.
J,
17
E. Berger)
J'
Gradient Tube
Components
Table 1.3 J. Possible Substances for Use as Gradient Column
1.3.2.1.
1.3.2.2. Flotation
1.3.2.3.
1.3.2.4.
1.3.2.5.
1.3.2.6.
y
J'
jV
Method
J
18
Pycnometry
Method of Archimedes
Immersion Microbalance
Volumenometry
19
20
1.3.
References.
1.4.
Methods of Preparation and Mounting of Specimens (A. E. De Barr, H.
P.
Rooksby and E. G.
Steward)
Table 1.4.1. Polycrystalline-specimen Mounting
Table 1.4.2. Single-crystal Mounting
''. ;.
Table 1.4.3. Containers
Lines
Diffraction
Strongest
Three
their
and
Contaminants
Table 1.4.4. Some Common
2?

"
"
32
^
34
1.4. References.
1.5. Crystal Setting
1.5.1,
by X-rays
(J.
W.
Jeffery)
Introduction
1.5.2. Setting
about a Rotation Axis

V A V
a Rotation Axis
bring a Selected Reciprocal-lattice Net Plane Perpendicular to
Plane at a Given
a Selected Direction in the Equatorial Reciprocal-lattice
To
1
\S2jL To
.5.2.1.
set
Angle to the X-ray
Beam
(Azimuthal Orientation)
vu
35
35
35
33
35
........,.
,,. ,
CONTENTS
1.5.
Crystal Settings by X-rays (continued)

1.5.3.
Setting
on
1.5.3.2.
1.5.3.3.
1.5.4. Crystal Setting for Incident
Eulerian Cradle)
2.
Statement of the Problem

Methods of Setting using only the Precession Camera
Use of Preliminary Setting on a Rotation Camera
1.5.3.1.
1.5.
page
Camera
the Precession
References..
..
..
and Diffracted Beams to be always

.
,.
..
..
..
.,
in a
35
35
35
35
,.
Given Plane (Use of
35
..
..
36
X-RAYS AND THEIR INTERACTION WITH CRYSTALS

2.1.
Constants and Units. Elements and their Properties
Table
2.1.1. Introduction to
2.1.1.
W. M. DuMond,
(J.
E. R.
39
39
40
41
Cohen and A. G. McNish)
Table 2.1.1. List of some Universal Physical Constants

2.1.2. X-ray Wavelength and Crystal-spacing Units of Measurement in Relation to the Standard
Metre (K. Lonsdale)
.
2.1.2.1. The Standard Metre, the A, and the A Units
.
2.1.2.2.
TheX.U
2.1.2.3.
Conversion Factor
A ( =XJ\
2 A. 2.4. Spectral Distribution
Measurements
..
S)
..
..
..
..
..
(b)
(c)
. .
Volume
2.1.
Recommendations made
Future Developments
Periodic System (J. H. Palm)
2.2.
System of the Elements
at the Paris Congress,
1954
Some
References.
42
Properties of the Elements (K. Lonsdale and G. D. Rieck)

Table 2.1.4. Alphabetical List of the Elements, with some Physical Properties
2.1.4.
Stockholm Congress, 1951
(e)
2.1.3.
III
2.1.2.6. Possible
2.1.3. Periodic
42
of Crystallographic Practice in the Use of Units

Period preceding February 1943
.
Period February 1943-47
Units adopted for the International Tables for X-ray Crystallography,
(d) Decisions taken at the
Chart
41
..
Relation to X-ray Wavelength and Precision Spacing
in
2.1.2.5. Historical Outline

(a)
..
..
..
..
,.
..
,,
..
...
59
59
Table
Table
Wavelengths of K-emission Series and Absorption Edges

2.2.3. L wavelengths in units kX/ 1-00202 (i.e. (value in kX) x 1-00202)
2.2.3. Wavelengths of L-emission Series and Absorption Edges
2.2.4. Tables of some Functions of Wavelengths
2.2.4. Values of some Useful Functions ofX..
2.2.5. Ratios of Selected Wavelengths
2. 2.5 A. Ratios of Selected Wavelengths
2.2.5 B. Ratios of Selected (Wavelengths) 2
2.2.6. The Relative Intensities of Ka , Ka. 2 and Kfi x Radiations, as emitted from Various Targets
t
commonly used
2.2.6. Relative intensities of Ka 2
u p lt at the Surface of the Target, for Nine Selected Target
Materials
.
Table
59
60
59
63
59
66
68
69
70
68
71
2.2.7.
K- and /.-absorption-edge
References
Wavelengths
Materials
Table 2.2.7. K- and L-absorption Edges (value
2.2.
43
44
57
Table 2.2.2.
Table
43
44
44
44
facing page 45
45
..
46
.
Tables relating to the Production, Wavelengths and Intensities of X-rays (G. D. Rieck)
Formulae relating to the Production of X-rays
2.2.2.
wavelengths in units kX/ 1-00202 (i.e. (value in kX) x 1-00202)
43
43
2.2.1.
Table
41
..
in
kX)
and Excitation Voltages for some Target

.
x 1-00202,
viii
. ,
. .
and Excitation Voltages

.
(in
keV)
.
71
71
72
CONTENTS
PAGE
2.3. Filter and Crystal
Monochromator Techniques
(B.
W. Roberts W.
;
Fairish)
2.3.1. Introduction
2.3.1.1. Spectral Distribution at

2.3.2. Filter
Target Surface and as Observed
Techniques
2.3.2.1. Single Filters

2.3.2.1.1. Kp/Ka Intensity Ratio
Table 2 3.2 A, ^-filters for Seven Common Target Elements to give Two Different Integra ted-in
Ratios for KBJK^
Table 2.3.2B. Effect ofZr Filters on MoKa l and KB X Peak Intensities
Table 2.3.2C. Effect of Ni Filters on CuK^ and

2.3.2.1.2. Use of Filters
2.3.2.1.3. Preparation of Filters
2.3.2.2.
K^
Peak
Intensities
Balanced Filters
Table 2.3.2 D. Calculated Thickness of Ross-filter Components for Commonly-used Radiations

2.3.3. Crystal Monochromator Techniques
2.3.3.1.
Flat
Monochromators
Table 2.3.3. Reflection Characteristics and Properties of Various Crystals (not bent)
2.3.
76
76
75
77
78
79
79
79
80
Monochromators
Monochromators
2.3.3.4. Bent and Ground Monochromators
2.3.3.5. Point-focus Monochromators
2.3.4. Special Monochromator Techniques
2.3.5. Camera Techniques using Monochromators
2.3.6. Counter-difFractometer Techniques using Monochromators
2.3.7. Other Review Articles
81
2.3.3.3. Singly-bent
82
83
83
84
85
86
86
References
87
Tables relating to Scattering Angles (E. L. Eichhorn and G. D. Rieck)

2.4.1. References to Existing Tables of 26 vs d
1A.1. Diameter of the Debye-Scherrer Rings
Table 2 .4.2 A. Bragg Angles 8 for Various Distances 2x between Corresponding Powder Lines in Cylindrical Camera of Radius 3 cm: 2x =0(0-1) 188-4
Table 2.4.2B. Ditto for 4-5 cm: 2x =0(0-1) 282-7
Table 2.4.2C. Table for Converting Minutes and Seconds into Decimals of a Degree (cf. Vol II, Sec-
mm
mm
Separation vs Identity Period

Translation Period along Rotation Axis as a Function of y, the Layer-line to equator
Separation; r= 28-65 mm: Ag/ftc, MoA"a, CuKd, NiKa, CoKst, FeAa, CrKd
2.4.3. Layer-line
2. 4.3 A.
Table 2.4.3B. Ditto for r= 30-00

Table 2.4.3C. Ditto for r= 57 -30
mm
mm
90
94
101
115
Standard Crystals for Calibration Purposes (G. D. Rieck and K. Lonsdale)

Large Spacings
Table 2.5.1. (001) Spacings ofa-Sodium Soap Hemihydrates at 20 C
2.5.2. Moderate Spacings
Table 2.5.2. Lattice Constants of some Standard Crystals (corrected for refraction)
2.5.3. Corrections
2.5.3.1. Thermal-expansion Correction
2.5.3.2. Refraction Correction
Table 2.5.3. Correction Term for Refraction: a(\ -n)(10~ 6 A)
.
89
108
2.5.
2.5.1.
89
89
89
100
tion 8.6)
2.5.
75
2.3.3.2. Tilted-surface
2.4.
Table
73
73
73
74
74
74
122
122
122
122
122
123
123
123
123
124
References
IX
CONTENTS
PAGE
2.6.
Thermal Expansion
in Relation to Structure
(K. Lonsdale)
Introduction
2.6.2. Relation of Thermal Expansion to Structure Type
2.6.3. Relation of Thermal Expansion to Texture, Impurities, Transformations, etc.
2.6.4. Comparison of Thermal Expansion of Covalent and van der Waals Bond Lengths in
2.6.1.
Molecular Compounds
2.6.5.
3,
125
125
125
Measurement of Thermal-expansion
Coefficients
by Diffraction Methods
Table 2.6. Linear Coefficients of Thermal Expansion for Various Crystalline Substances
2.6.
125
125
References..
129
126
129
Measurement and Interpretation of Intensities

3.1.
X-ray Intensity Measurements (K. Lonsdale and C. H. MacGillavry)

3.1.1. Introduction
3.1.1.1.
133
Systematic Errors
Absolute Intensity Measurement

Photographic Methods
3.1.2.1. Maximum Effective Blackening and Contrast
3.1.2.2. Maximum Resolution
3.1.2.3. Minimization of Unwanted Radiations and Isolation of one or more Desired
Wavelengths
3.1.2.4. Means of Measuring Line Profiles or Integrated Intensities
3.1.2.5. Accurate Measurement of Relative Intensities
Table 3.1.2.5. The Combined Function W>Lp to correct for Spot Size and Lorentz-polarization Factors on
Equi-inclination Upper-layer- line Weissenberg Diagrams (H. J. Mill edge)
3.1 .2.6. Photometric Technique (P. M. de Wolff)
3.1.1.2.
3.1.2.
3.1.2.6.1. Introduction
Photographic Intensity Measurements

Table 3. 1.2.6 A. Effect of Recording Velocity on Statistical Density Fluctuations on X-ray Films
3.1.2.6.3. Oblique Incidence
3.1.2.6.2.
Table 3.1.2.6B. Correction Factors for Oblique Incidence

Table 3.1.2.6C. Oblique-incidence Corrections for Powder Diffraction Intensity Measurements
3.1.3. Geiger, Proportional and Scintillation Counters (W. Parrish)
3.1.3.1. Introduction
Table 3.1.3.1
3.1.3.1. Methods, other than Photographic, used in X-ray Crystallography
Counter Tubes
Geiger Counter
3.1.3.2.2. Proportional Counter
3.1.3.2.3. Scintillation Counter
3 1.3.2.
3.1.3.2.1.
3 1.3.3.
Linearity
3 1.3.4.
Quantum-counting Efficiency
Pulse-amplitude Distribution
3.1.3.6 Plateau
3.1.3.7 Electronic Discrimination
Table 3.1.3.7
3.1,3.7. Peak-to-background Ratios for Various Counters with and without Discrimination
3.1.3,5
.3.8.
3 1.3.9.
Escape Peaks
3.1.3.9.1.
Noise
3.1.3.9.2.
Cosmic Rays and Radioactivity

and Size Factors
3.1.3.10. Statistical
Counting
Statistics
and Constant-angular- velocity Methods

Fixed-counts Methods ..
3.1.3.10.2. Fixed-time
3.1.3.10.3.
3.1.3.10.4. Crystallite-size Effect

3.1. References.
133
134
134
134
134
135
135
135
136
141
141
141
142
142
143
142
144
144
144
144
144
145
146
146
147
148
149
149
150
152
Non-X-ray Background
3.1.3.10.1.
133
153
153
153
153
153
154
155
155
155
....
CONTENTS
PAGE
3.2.
Absorption
157
X-ray Absorption (B. Koch and C. H. MacGillavry)
..
..
..
..
3.2.1.1. Phenomenological Definitions
..
..
..
..
..
3.2.1.2. True Absorption, Scattering and Extinction
3.2.1.3. Calculation of Absorption Coefficients
..
3.2.1.4. Measurement of Absorption Coefficients
Table 3.2. L Variability of Experimentally Determined Values of>/> for Carbon (H. J. Milledge)
3.2.2. Calculated Absorption Coefficients of the Elements (Z = 1 to 83)
Table 3.2.2 A. Mass Absorption Coefficients pip of the Elements (Z=l to 83) for a Selection of Wave3.2.1.
<
lengths
Table 3.2.2B. Atomic Absorption Coefficients
ft a
Table 3. 2.3 A. Transmission Factors of Various Materials for X-rays

Table 3.2.3 B. Transmission Factors for some Undeveloped X-ray Films and for Two Wrapping Papers.
3.2.4. Special Cases of Absorption in Powders and other Non-homogeneous Specimens
..
<K. Koopmans and G. D. Rieck)
.
3.2.4.1. Introduction
.
Case 2. Medium-grade Powders: 0-01 <^D<0-1

Case 3 and Case 4. Coarse and Very Coarse Powders: 0T <\i.D <
Absorption for Neutrons (G. E. Bacon)
Absorption of the Elements for Neutrons
..
3.2.4.6.
Atomic Scattering Factors
Mean Atomic
Mean Atomic
Model
3.3.
1A
. .
from
the
Ditto for
1961)
(J.
A. Ibers)
194
194
196
Wave
Thomas-Fermi- Dirac
MoKa
Amplitudes for Electrons (J. A. Ibers and B. K. Vainshtein)

3.3.3.1. Summary of Notation
3.3.3.2. Summary of Formulae
B
Self-consistent
.) in A.
Table 3. 3. 3 A (I). Atomic Scattering Amplitudes for Electrons f (Z = l-36
.
Field Calculations
Mean Atomic
Scattering Amplitudes for Electrons

.
fs (Z=20-104)
Fermi- Dirac Statistical Model

in
Table 3.3. 3B. Complex Atomic Scattering Amplitudes f=\f\e for 39-5
3.3.4. Neutron Scattering Amplitudes (G. E. Bacon)
keV
..
..
,.
..
Nuclear Scattering
..
Magnetic Scattering
Table 3.3 A A. Neutron Nuclear Scattering Data for Elements and Isotopes
3.3.4.1.
3.3.4.2.
xi
210
213
213
214
215
216
216
217
202
208
Statistical
201
201
Self-consistent or Variational
from
Factors, in Electrons,
Scattering
U
..
November
3.3.3. Scattering
(2).
94
199
3.3.2. Dispersion Corrections for Atomic Scattering Factors (D. H. Templeton)

Table 3.3.2 A. Dispersion Corrections for Atomic Scattering Factors (CrKx radiation)
Table 3.3.2B. Ditto for CuK* ..
Table 3.3.3A
194
197
for X-rays (corrected to
Scattering Factors, in Electrons,
Functions
Bibliography for Table
Table 3.3.2C.
193
193
199
Table 3.3. IB.
175
193
195
Oand/iD>l-0
References
'Table 3.3.1 A.
171
174
195
195
3.2.4.5.
3.3.1.
161
'94
194
3.3.
160
Applications
3.2.4.3. Classification according to Size and Absorption of Particle

Table 3.2 A A. Linear Absorption Coefficients for some Metallic Elements for CuKx radiation
Table 3.2 AB. Coarseness of Powders in relation to Particle Size and X-ray Absorption Coefficient
Table 3. 2 AC. Numerical Values of the Particle Absorption Factor for Spherical Crystals
3.2.4.4. Case I. Fine Powders: p*D <0-0I
3.2.
160
166
:
Table 3.2.5.
157
159
'62
lengths
3.2.5.
157
of the Elements (Z-l to 83) for a Selection of Wave-
Table 3.2. 2C. Values of Constants used for Computation of rjp for Absorber Z
Table 3.2.2 D. Values of Klein-Nisbina Factor used for Computation ofo P
Table 3.2.2E. Mass Absorption Coefficients p,!p of the Elements (Z- 1 to 83) for the Range of Wavelengths
(H. J. Milledge)
0-30 (0-05) 2-75 A, with Values ofZA and A
3.2.3. Transmission Factors of Various Materials for X-rays (G. D. Rieck)
3.2.4.2.
157
218
in
.
Thomas-
A.
.
Electrons
..
220
222
227
228
228
229
CONTENTS
3.3.
PAGE
Atomic Scattering Factors (continued)

Comparison of Nuclear and Magnetic Scattering Amplitudes
3.3.5. Temperature and other Modifying Factors (K. Lonsdale)
3.3.5.1. Thermal Vibration and Zero-point Energy
3.3.5.1.1. For a Cubic Crystal consisting of One Kind of Atom Only
Values of Zero- point Energy Parameter B and Thermal Debye Parameters B T at 20
3. 3.5 J A.
93, 293 K for some Elements with Cubic Structures
x
3.3.5.1 B. Values of some Debye Parameters B {inclusive of z.p.e.) and of Vibration Amplitudes
derived from X-ray Measurements
3.3.5.1.2. Elements Crystallizing in Non-cubic Structures
c
33.5.} C. Values of Zero-point Energy Parameter B and Thermal Debye Parameters B r at 20
93, 293 K for some Elements with Non-cubic Structures
3.3.5.1.3. Binary Alloys and Simple Inorganic Compounds
3.3.5.1 D. B =BQ B, for some Atoms in Binary and other Simple Inorganic Compounds
3.3.5.1.4. Simple Organic Structures
3.3.5.1 E. Some Observed Atomic Debye Parameters for Molecular Crystals
3.3.5.2. Bonding Anisotropy and Non-spherical Electron Distributions
3.3.5.3. Disorder
3.3.5.3. Magnitude of Disorder Effects for some Selected Structures
3.3.5.4. Continuous and Discontinuous Variation of Effective Debye Factor with Tem
perature and Pressure, including First- or Second-order Transitions
2M and
M
3.3.5.4. Variation of Debye Factor e~
of (I -e~* ) with Temperature for tke\\\ reflection
Table 3.3.4B.
Table
Table
Table
Table
Table
Table
Table
from Diamond
Compton
Scattering of X-rays (H. Curien)
Introduction
3.4.2.
Genera] Characteristics of the Incoherent Scattering

Evaluation of the Intensity of Compton Scattering
3.4.3.1. Classical Calculations

3.4.3.2.
Quantum Mechanics
Calculations
Effective Calculation of the Incoherent Intensity scattered
3.4.4.1.
by a Free Atom
Thomas-Fermi Derivation
Calculation of the Compton-seattering Intensities after Bewilogua, based on the
3.4.4.2 Self- consistent Field
249
249
Method
Table 3.4.4.2A.
Compton-seattering Intensities *f t JR with Exchange Terms based on Hartree-Fock

Wave Functions
Table
Compton-seattering Intensities
Wave Functions
S JR for
in
Interatomic and Interionic Distances
250
Oxygen and Carbon based on Hartree-Fock

252
3.4. References.
4.
243
Thomas
Fermi Model
3. 4. 4.2 B.
238
236
240
236
242
236
243
244
247
247
247
248
248
248
249
249
3.4.3. Theoretical
Table 3.4.4.1.
237
236
245
3.4.1.
3.4.4.
234
244
3.3. References
3.4.
232
232
233
233
253
..
4.1. Interatomic
Inters
Distances in Inorganic Compounds (H. Ondik and D. Smith)
Table 4.1.1. Interatomic Distances in Inorganic Compounds
Table 4.1.2. Nitrogen Hydrogen Bond Distances
Table 4.1.3. Nitrogen Nitrogen Bond Distances
Table 4.1.4. Nitrogen Phosphorus Bond Distances
Table 4.1.5. Nitrogen
Oxygen Bond Distances
Table 4.1.6. Phosphorus Oxygen Bond Distances
Table 4.1.7. Vanadium Oxygen Bond Distances
Table
Oxygen Hydrogen Bond Distances
Table
Sulphur Oxygen Bond Distances
Table 4.1.10 Sulphur Sulphur Bond Distances
4.1.8.
4.1.9.
xn
255
257
258
270
270
270
270
271
271
272
272
272
CONTENTS
4.1.
Interatomic Distances in Inorganic
Compounds
PAGE
(continued)
273
273
Table 4.1.11, Chlorine Oxygen Bond Distances

Table 4.1.12. Hydrogen-hond Distances
274
4.1. References
Tables of Bond Lengths between Carbon and Other Elements (O. Kennard)
Bond Distances between Carbon and other Atoms in A
Carbon Bond Distances
Table 4.2.2. Carbon
Table 4.2.3. Carbon Hydrogen Bond Distances
Table 4.2.4. CarbonNitrogen Bond Distances
Table 4.2.5. Carbon Oxygen Bond Distances
Table 4.2.6. Carbon Sulphur Bond Distances
275
275
276
276
276
276
276
4.3. Interatomic Distances in Metallic Crystals (W. Hume-Rothery and K. Lonsdale)

Table 4,3. Interatomic Distances in Crystals of Metallic Elements
277
278
4.2.
Table 4.2.1.
285
4.3. References
5.
Texture and Line-broadening Analysis. Small-angle Scattering

5.1. Determination of the Texture of Polycrystalline Materials (A. E. De Barr, with C. H. MacGillavry)
Introduction
5.1.1.
5.1.1.1. Definitions
Pole Density and Pole Figure

Experimental Determination of Texture by X-ray Methods
5.1.1.2.
5.1.2.
Film Methods
Specimen Stationary during Exposure
5.1.2.1.2. Specimen Moving during Exposure
5.1.2.2. Counter Methods ..
5.1.2.3. Experimental Technique
5.1.3. Morphological and Other Methods
..
296
297
298
299
299
299
299
5.1.3.1. Optical
5.1.3.2. Indirect
Methods
Methods
5.1.4. Interpretation
..
of Pole Figures and Texture
289
289
289
289
290
291
291
5.1.2.1.
5.1.2.1.1.
287
Maps
Appendices
The Stereographic
5.1.1.2.
Projection
of Latitude
Meridians
5.1.1.3.
Reflection Circles
5.1.1.
300
300
300
300
300
300
Trigonometrical Relations
5.1.1.1. Parallels
Reflection Circles for Schulz Method

Corrections involved in Texture Determinations
5.1.1.4.
5.1.II.
Transmitted Rays
Table 5.1 A. Intensity Correction Factor for Equatorially Diffracted Rays Measured
through a Flat Plate
301
5.1.11.1.
5. 1.11.2.
Table
5. IB.
Transmission
Rays
Intensity Correction Factors for Equatorial

5.1. 11. 3.
5.1.
Reflected
in
Rays
reflected from a Thick
Transmitted and Reflected Rays
Specimen (nt>
3)
302
316
316
316
References
317
and their Statistics from Debye-Scherrer Lines (E. Bertaut)

5.2.1. Line Breadth and Particle Size
5.2.1.1. Definition of Line Breadth
318
318
318
318
318
318
319
319
319
5.2. Particle Sizes
5.2.1.2. Definition of Particle Size

5.2.1.3. Shape of Crystallites
in Crystals of the Cubic System
Table 5.2.1. The Shape Factor
5.2.1.4. Methods of Correction of the Line Breadth
5.2.1.4.1.
5.2.1.4.2.
Reference Methods
The Doublet Correction
CONTENTS
5.2.
Particle Sizes and their Statistics
PAGE
from Debye-Scherrer Lines (continued)
Line Profiles and Particle Size Statistics

5.2.2.1. The Line Profile
5.2.2.1.1. Analytical Expression
5.2.2.1.2. The Fourier Transform of the Line Profil
319
319
319
319
320
320
320
320
320
320
320
5.2.2.
5.2.2.2. Particle Size Statistics
5.2.2.2.3
Diameter Averages
Deviations and Variances
Fraction of Diameters between
5.2.2.2.4
Volume
5.2.2.2.
5.2.2.2.2
and
in'
Statistics
5.2.2.2.5
Diameter-distribution Function
5.2.2.2.6
Scaling
Methods of Correcting the Line

Direct Methods
5.2.3.2. Fourier Methods
5.2.3.
321
Profile
321
5.2.3.1.
5.2.4.
5.3.
321
322
322
Fresnel Integrals
Table 5.2.3.
5.2.
321
Detailed Analysis of Line-broadening Factors
5.2.3.3.
The
Effect of Finite
Summation
References
323
Small angle Scattering (A. Guinier)

Order of Magnitude of the Extension of the Small-angle Diffuse Scattering
324
324
324
324
325
5.3.1.
5.3.2.
5,
Single
3.2.1.
5 3.2.2.
sin
Table 5 3.2 A.
Homogeneous
....
77.v
and
nx
sin
f5r)'
xx
cos
5.3.4.
324
as functions of x
a*
and
Table 53.2 B. 4>{x)=35.3.3.
Particle
General Formula for Scattering Power

Particles of Special Shapes
2
<f>
of x
(x) as functions
325
Spherically-symmetrical Heterogeneous Particle

Low-density Group of Identical Randomly Oriented Particles
5.3.4.1.
5.3.4.2.
325
326
326
326
General Formula
.
Si(2x)
sin 2
Table 5 3.4 A. i(*)

Table 53.4B. J^x) as a function
C sin
.v
where Si(x)
ofx =0
dt,
as a function
ofx
326
327
327
327
(0-2) 5-0
Approximate Formula. Guinicr's Law

5.3.4.4. Approximation to the Tail of the Curve. Porod's Law
5.3.5. Effects of Interparticle Interference for Identical Particles ("Dense
5.3.5.1. Debye's Formula ..
5.3.5.2. Fournet's Formula
5.3.4.3.
Low-density Group of Particles of Different Shapes

Curves of Roess and Shull
5.3.6.2. Exponential Approximation
5.3.6.3. Approximation to the Tail of the Curve
5.3.7. General Case
5.3.8. Limit of the Scattered Intensity at Zero Angle
5.3.9. The Total Energy scattered at Small Angles
5.3.10. Corrections for Beam Height
5.3.10.1. Case of Gaussian Intensity Distribution
5.3.10.2. Correction for an Infinitely High. Uniform Beam
5.3.10.3. Transformation Formulae
5.3.6.
5.3.6.1.
Group)
327
328
328
328
328
328
328
328
328
329
329
329
329
329
329
5.3. References.
xiv
CONTENTS
PAGE
6.
Protection against Radiation Injury (X-ray, Electron, Neutron)

and W. J. Oosterkamp)
(J.
E.
Cook
331
333
333
333
333
334
6.1. Introduction
of Radiation Protection
6.1.2. ResponsibiHty
6.1.3. Maximum Permissible Doses
Table 6.1 A. Maximum Permissible Doses of Radiation
Table 6JB. Neutron Fluxes
6.1.4. Health Surveillance
6.1.5. Personnel Monitoring
6.1.1. Objectives
6.2.
334
334
335
336
336
336
336
X-ray Diffraction and X-ray Chemical Analysis Apparatus

Operational Techniques
6.2.2. Requirements in respect of Installations
6.2.3. Radiation Surveys and Monitoring Installations
6.2.1.
6.3. Electron Diffraction
6.4.
337
Apparatus
6.
7.
337
337
337
337
337
Neutron Diffraction Apparatus

of Radiation Hazards
6.4.2. Measurement of Radiation Hazards
6.4.3. Shielding and Design of Apparatus
6.4.4. Operational Techniques
6.4.1. Origins
338
References
Dictionary of Terms for Volume

7.1.
III
Dictionary of Crystallographic Terms in English, French, German, Russian and Spanish.

List of Terms in English which are similar (or easily recognizable) in all the five Languages
7.1.2. List of Terms which are similar (or easily recognizable) in English, French, German
and Spanish (English and Russian equivalents only are given)
7.1.1.
7.13. List of other English
Terms
used, with equivalents in French,
Subject Index for Volumes
341
341
343
German, Russian and

344
Spanish
8.
339
I,
II
and
355
III
xv
LIST OF FIGURES
Nomogram for the preparation of brornobenzene-xylene gradient-column components at room
temperature
Fig. 2.3.1. Spectra from Mo target sealed-off X-ray tube, under various conditions
Fig. 2.3.2(1). Mass absorption coefficients of common filter elements as a function of wavelength
Fig. 2.3.2(2). Diffractometer recordings of
and Ni powder lines
Fig. 2.3.2(3). Same for Si powder line under various conditions
Fig. 2.3.2(4). Diagrammatic representation of absorption, by Zr and Sr filters, of radiation from an Mo target
Fig. 2.3.3(1). Types of crystal monochromators for parallel or focused beams
Fig. 1.3.2.
Some point-focusing monochromator schemes

Camera arrangements with focusing monochromators
Fig. 2.3.3(2).
Fig. 2.3.5.
Counter-diffraetometer techniques, using monochromators

Chart of combined spot-size and Lorentz-polarization factor corrections, for equi-inclination
Weissenberg photographs and given instrumental constants. Extended spots only
Fig. 3.1.3.1. Schematic arrangement of the electronic circuits used for counter-tube measurements
Fig. 3.1.3.2. Cross-sections of typical counter tubes
Fig. 3.1.3.3. Linearity of a commercial argon end-window Geiger counter for CrAa
Fig. 2.3.6.
Fig. 3.1.2.
Calculated quantum-counting efficiency as a function of wavelength for four counter tubes

Calculated pulse-amplitude distributions of CuKa and MoKa drawn as (1) differential curves,
(2) integral curves
Fig. 3.1.3.6. Plateaux of scintillation counter for (1) various wavelengths, using an amplifier gain of 1000,
(2) one wavelength, using two amplifier gains
Fig. 3.1.3.7. Calculated efficiency of detection system (1) for scintillation counter, (2) for proportional counter,
(3) spectrum of Cu-target X-ray tube under various conditions of filtering, (4) observed CuKa. intensity and
peak-to-background ratio with various settings of the pulse-height-analyser window
Fig. 3.1.3.4.
Fig. 3.1.3.5.
differential curves showing main and escape peaks

for various confidence levels.
Percentage error as a function of the total number of counts
(2) Effect of goniometer scanning speed V and time constant TC on line profile
Fig. 3.2.1. True absorption coefficient vs wavelength of absorbed radiation (diagrammatic)
Fig. 5.1.2(1). The reflection circle. The relation between the diffracted beam and the stereographic projection
Observed
Fig. 3.1.3.8.
Fig. 3.1.3.10.
(1)
of the normal to the reflecting plane

Fig. 5.1.2(3).
The
The
Fig. 5.1.2(4).
Flat-film
Fig. 5.1.2(2).
reflection circle in the reciprocal lattice
Fig. 5.1.2(8).
and the pole figure

X-ray diffraction diagram corresponding to Fig. 5.1.2(3)
Rotation of reflection circle as specimen rotates through an angle y
X-ray diffraction data plotted on to a pole figure
Case where y>d
Pole-figure chart (0=10)
Fig. 5.1.2(9).
Fibre-texture pole figure
Fig. 5.1.2(5).
Fig. 5.1.2(6).
Fig. 5.1.2(7).
Fig. 5.1.2(10).
reflection circle
and
reflection circle
Ideal {100} pole figure for a wire (cubic) having a [111] fibre texture.
beam
1). The same, with
Fibre axis normal to
incident
Fig. 5.1.2(1
fibre axis inclined to incident
beam
Determination of fibre axis on a standard stereographic projection of a cubic crystal

Fig. 5.1.2(13). Determination of azimuth S from measurements on film from a cylindrical camera
Fig. 5.1.2(14). Texture mapping. Flat film
Fig. 5.1.2(15). Texture mapping. Cylindrical film
Fig. 5.1.2(16). Pole-figure investigation, using counter diffractometer
Fig. 5.1.2(17). Rotation about an axis in the sheet
Fig. 5.1.2(18). Counter-diffractometer reflection technique due to Schulz
Fig. 5.1.2(19). Construction of pole figure from data obtained using the Schulz technique
Fig. 5. 1. 1. The stereographic projection. Projection of circle on the reference sphere
Fig. 5.1.2(12).
Fig. 5.1.11(1).
Definition of angles in transmission case
Fig. 5.1.11(2).
Definition of angles in reflection case
Fig. 5.2.
The Fourier transform of
the normalized intensity function
xvi
CORRIGENDA
Page
Note. The present reprint contains the following corrections made on the actual page.
4-
Page
vii
10
cm from
^lii
<^<
^liu-
Experimental
values
in
this
narrow range were so scarce that no inter- or extrapolation was possible.

In the second last paragraph the sentence referring
to C and D values in groups 3 and 4 has been deleted.
the top Larson has been changed to
Larsen.
162-192 In Tables 3.2.2. A, B, C and E certain values

have been deleted as completely unreliable.
Larson has been changed
33
In column 2 in the middle of the page the words in

ether have been replaced by in ether and ethyl
to Larsen.
63)
1651
alcohol.
40
In Table 2.1.1 at the

entries
bottom of the
list
the following
167)
have been added
Bohr
radius,
i.e.
radius of the
first
hydrogen
Universal Rydberg constant
orbit in
Bohr
69/
aH
In Table 3.2.2A values of n/p between L T and L

have been deleted.
On p. 165 in the extreme left column absorber 56
has been corrected to read Ba.
In Table 3.2.2B values of /* a between L x and L IU

have been deleted.
On p. 167 in the extreme left column absorber 56
has been corrected to read Ba.
Roo
In the headings to Table 3.2.2C the statements about
and 4 have been deleted.
On p. 173 all figures in columns headed C 3
173J
3
C 4 and D t have been deleted; these comprise values
given in the 1962 volume for constants C and D in
the ranges A LT < A < A /n and A 7II < A < A iITI
1711
81 et seq.
Johannson has been changed to Johansson
in
172) suffixes 3
the following places:

p. 81. Fig. 2.3.3(1)
under the lowest
left
diagram,
In the 4th and 19th lines of 2.3.3.4 and in

lines 7 and 25 of the second column,
p. 84. In line 9 of the second column,
p. 85. In line 23 of the first column and lines 12
and 14 of the second column,
p. 86. In line 8 of the second column.
(The same change has also been made in the Index
p. 83.
In the headings to Table 3.2.2E the statement

m/p is given to 3 significant figures only is
corrected to read that njp is given to 3 figures.
175-192
that
(p. 359).)
136 et seq.
On
each of the four pages of Table
the heading
W has been changed
Lp
to
2Lp
186-192 In these pages of Table 3.2.2E values of /*/p between Lj and L IU have been deleted.
Note. Values of absorption coefficients for elements
with Z from 59 to 72 (inclusive) are unreliable
because very few experimental data were available;
in this reprint these values have been left in.
3.1.2.5 in
and
simi-
larly in the legend to Fig. 3.1.2.
140
The equation
to read
2L D
column has been changed
in the first
f
cos
1+ cos 2
212
Under Thomas, L. H. and Umeda, K.

number of the reference has been changed
etc.
20
241
In the reference
all
141
In the first column near the foot under (b) the

expression for E =
has been changed to read for
column the seven
been changed to
entries of [2]
have
[3].
Under Comments in the footnote the following

has been added:
The data for AgBr, Agl, ZnS, MgO, CaF 2
(derived from @), FeS 2
a refer not to room
temperature but to a low temperature of 20K.
The room-temperature value of B for
2 is found
by neutron diffraction to be 0-40 A 2 and by X-ray
diffraction to be 0-39 A 2
zero.
UO
147
the page
to 293.
In the second column in line 11 of 3.1.3.4 the words

Equation 3.1.4(1) have been changed to read Equation
U0
3.1.3.4(1).
161
^57
In line 12 of the second column the text has been

deleted from This smoothing
conclusive (in line
17). Further down the two paragraphs numbered 3
and 4 have been replaced and now read
3. A iT <A<A
Experimental values in this
.
As
the third entry under the letter
has been added: Callier
the following
effect: III 141.
Under Compton (incoherent) scattering the page

reference 158 has been added.
359
Under Johann
Johansson.
xvii
the third
word has been corrected
to
Introduction
C. H.
MacGillavry and G. D. Rieck
Purpose, Scope and Arrangement of the Tables
left
This third volume of the International Tables for X-ray

Crystallography completes the original intention of the
Editorial Committee. It contains data which may be
subject to later revision on the basis of improved
measurements or calculations either of the physical or
chemical properties to which these data refer, or of
fundamental physical constants in terms of which the
data are expressed. Any further tables may be published either as volumes or as supplements.
The sequence of the earlier sections 1 to 4 in this
volume has been arranged to be generally parallel to
the order of the processes involved in the X-ray study
of crystals, in particular of single crystals (although
some tables for electron and neutron diffraction
studies are also included). Section 5 deals basically
with investigations of polycrystalline material. Section 6, on precautions against radiation injury by
X-rays, electrons or neutrons, is of importance to all
in
workers in these fields.

There is a close connection between several sections
in Volume III and corresponding sections in Volume
II.
Whereas basic definitions and formulae have
mostly been given in Volume II, the present volume
presents numerical values of quantities in these formulae such as scattering factors, wavelengths, absorption coefficients, etc. An effort has been made to
preserve continuity of notation, but this has not
always been possible.
Several other sections have been written from a
purely practical point of view. For example, Sections
1.4 and 1.5 refer to the mounting and setting of specimens; Section 3.1 gives, among other things, advantages and disadvantages of different techniques, and
some sources of possible error.

general policy of the Editors of these volumes
has been that textbook material should be avoided if
describes
The
possible. It has not always been possible, in particular

where the material relating to the tables is scattered
throughout the literature of the subject or is not
readily available. In some cases research has had to
be undertaken in order to provide data which were
previously lacking. Although in some sections the
reference lists are very large, they are not exhaustive,
and it may well be that papers are omitted that ought
to have been included.
Some tables that are much used though not in connection with structure analysis, for example d vs. 9
tables and wavelength-identification tables, have been
out because
(a) these tables are
many forms and
(b)
it is
already available
easier for those
who
use
them regularly to have them separately at hand and

not bound in a volume with other matter. References
are given to some such tables.
A separate chart of the Periodic System is provided.

Acknowledgments
The
Editorial Committee wish to express their indebtedness to all Authors of sections and subsections, not only for the time, energy and expert
knowledge which they have generously made available,
but also for their patience during extensive correspondence, and for the consideration they have given
to the Editors' wishes and suggestions. The Editors'
and Authors' thanks are also due to numerous colleagues, too many to mention by name, who have
provided unpublished data or collections of data for
this work, or who have helped with valuable suggestions and criticisms or with proof-reading.
The Netherlands Organization for Pure Research
(Z.W.O.) has given most generous support by providing one of the Editors (C.H.MacG.) with an assistant during a number of years. This position has been
filled successively by E. L. Eichhorn, B. O. Loopstra,
A. L. Veenendaal, B. Stam, J. H. Palm and Miss B.
Koch. Their help in many ways, ranging from clerical
and computational work to independent contributions,
has been invaluable throughout the period of preparation of this Volume III. Computations of scattering
factors for several elements were carried out at the
Mathematical Centre, Amsterdam.
The other Editor (G.D.R.) has to thank the N.V.
Philips' Gloeilampenfabrieken, Eindhoven, for permitting him to spend part of his time on this work.
The General Editor is most grateful to University
College, London, for providing part-time secretarial
and other assistance, which has greatly decreased the
load of correspondence involved in the preparation of
manuscripts for the press and in compiling the Dictionary and Index. The staff of The Kynoch Press
have taken great trouble to see that the technical production is up to the standard of the first two volumes.
Notification of errors or misprints will be gratefully
received by the General Editor, although in case of
doubt it may be more helpful to write directly to the
author concerned. Suggestions for further tables will
be welcomed.
Section
EXAMINATION AND PREPARATION

OF SPECIMENS
PAGE
1.1.
1.2.
Preliminary Investigation and Selection of Crystals for X-ray Study

(C. H. MacGillavry and N. F. M. Henry)
Immersion Media for Measurement of Index of Refraction
and
1.3.
1.4.
1.5.
R.
(E. S.
Larsen,
Jr.,
Meyrowitz)
14
Determination of the Density of Solids
(F.
M. Richards and
Methods of Preparation and Mounting of Specimens

H. P. Rooksby and E. G. Steward)
Crystal Setting by X-rays
(J.
W. Jeffery)
J.
E.
(A.
Berger)
E.
de
17
Barr,
21
35
1.1.
Preliminary Investigation and Selection of Crystals for X-ray Study
Introduction
The
object of this section
is
to provide hints
on the
use of methods of investigation other than by X-rays.

It is impossible within the scope of these tables to
describe each method instead, references are given to
;
textbooks, to review articles and to

papers. The bibliography, however,
some
is
original
necessarily
incomplete.
1.1.1.
Work
Table 1.1, column 1 lists properties some of which

can be used in selecting a suitable crystal and in
,
setting
column
and
orientation.
Some
hints
are given in
2; for further details consult the literature
mentioned.
1.1.1.1.
slightly soluble. To obtain spherical shape, use an

abrasion chamber.
Cylindrical or conical shape is convenient for rotation or Weissenberg diagrams about the cylinder
(cone) axis some crystals can be ground after setting
and orienting. If a crystal is to be used in several
orientations, e.g. for collecting three-dimensional diffraction data, the spherical shape is best. In Vol. II,
Sections 5.3.5 and 5.3.6, transmission coefficients for
cylindrical and spherical specimens are given. Methods
to correct for absorption in a specimen of arbitrary
shape are also described there.
For extinction see Vol. II, Section 5.4. Extinction
can be lessened by increasing the mosaic character of
the crystal sometimes, for example, by immersion in
liquid air, or by grinding the crystal.
;
Selection of Specimen and Preparation for
X-ray
edges. When working on a lathe, (a) avoid all shocks,

use a welded plastic belt for transmission of the rotation, (b) wet the crystal by a medium in which it is very
Selection of the Specimen
Crystals of the substance should be examined first

under a magnifying glass or low-power microscope,
preferably binocular
then under the polarizing
microscope. If possible, one should avoid using twins
and aggregates, or deformed crystals.
The size and shape of the crystal are important with
respect to absorption of X-rays and subsequent
measurement of intensity. Too large crystals produce
"hollow" spots on the film, whereas too small crystals
require very long exposure times. The linear absorption coefficient for the substance and for the chosen
X-ray wavelength should be computed from data
given in Section 3.2; from this, convenient dimensions
of the crystal can be deduced (Vol. II, Section 5.3.5.4).
Instructions for mounting the crystal are given in
Section
1.4.
1.1.1.3.
Orientation of the Specimen
1.1.1.2.
Preparation of the Specimen
Hygroscopic and
volatile crystals
must be inserted
by
in a capillary tube or small glass bulb, or covered
a water-impermeable film such as nail-polish. Section

1.4 gives information on suitable materials for this
purpose.
The most awkward and uncertain corrections on
scattered intensities are those for irregular absorption
and for extinction.
Check whether the selected crystal

have considerably irregular absorption. If so, it
will be advantageous to reduce the crystal to cylindrical, conical or spherical shape. Cylinders or cones
can be made either by grinding or cutting the crystal
on a small lathe, or by slowly dissolving away the
will
cannot be oriented by its external form,

with help of other physical properties
(Column 2, Table 1.1). In setting by optical properties
it is convenient to use a simple horizontal-axis stage
mounted on the microscope stage, with a detachable
goniometer head which fits also the reflection goniometer and the camera.
Section 1.5 describes X-ray methods for final
adjustment of the orientation.
If a crystal
it
can be
1.1.2.
set
Preliminary Information about the Structure
Crystal properties may give useful hints about the

atomic arrangement, though cautious interpretation
is necessary.
Column 3 of Table 1.1 indicates the
nature of such information, and gives references to
literature on the subject. Full use of this information
may
help to set up a
structure and save much

of a structure determination.
properties from which such information
may be gleaned is by no means complete.
In the table, and in the list of references, the properties are arranged in groups.
Reference numbers
within each group of the table refer to the list of that
group; otherwise the group symbol is also quoted.
work in the
The list of
trial
initial stages
1.1.
PRELIMINARY INVESTIGATION AND SELECTION OF CRYSTALS FOR X-RAY STUDY
TABLE
Use of Crystal Properties
Crystal
Crystal Selection and Preparation
Properties
A.
1.1
for Selection and Preliminary Study of Crystals
Relation with
Structure
Work
for X-ray
Morphological Properties
Crystal habit
(a) Setting crystal parallel to edge,
parallel to
[8] [10] [11] [12] [13]
symmetry
or
(a)
axis, derived
from goniometric measurement.

(See Section
(b)
1.5.)
Habit can be influenced by choos-
(b)
(i)
Geometrically: best-developed faces
correspond to net planes with large

density of lattice and/or pseudo-lattice nodes (Bravais' law, extended by
ing different solvents or different

crystallization circumstances, or
(c)
Morphological determination of crymay narrow down choice of

space group. Important where X-ray
work leaves an ambiguity.
stal class
by certain "impurities."
Plate-shaped crystals
measurement of X-ray reflections from
surface of plate.
Donnay and Harker
[2] [5]).
Dynamically: correlation between

prominence of face and bond system
approximately parallel to the corresponding lattice plane [7] [9].
(ii)
(iii)
Thermodynamically
inverse cor-
relation between face development
surface free energy
Twinning
(a)
[6] [3]
Twins may be hard to detect by

morphological or X-ray methods.
Investigate under polarizing
(a)
microscope: optical anomalies

strongly indicate mimetic twin-
(b)
ning, stacking faults, etc.

(b)
Hemimorphy
or pseudo-hemimorphy
of the content of the

(See Vol.
II,
and
[4].
cell
or super-cell.
Section 3.1.9.)
Pseudosymmetrical stacking. Classical

example: aragonite [1].
[23].
Mechanical twinning can occur in

cutting or grinding a single crythis
stal;
known
pen
phenomenon,
well
for metals, can also hap-
in ionic
Such
and molecular
cry-
should be
reduced to appropriate shape by
use of solvent.
stals.
B.
crystals
Mechanical Properties
Cleavage
(a)
Used
to obtain
good surface
for
(b)
Improvement of
Correlation with
bond
strength aniso-
tropy.
setting.
[11] [12]
crystal shape.
In isodesmic structures (e.g. diamond)

number of bonds per unit cell
between parallel cleavage planes.
smallest
Hardness
[4] [5]
Anisotropy of hardness may produce ellipsoids instead of spheres

when using the abrasion chamber.
Indication of lattice
bond
strength
and
density of bonds [11].
May be very sensitive to impurities,

changes in texture through aging or annealing or to other previous treatment
(metals, alloys)
[1].
1.1.
TABLE
Crystal
[8] [9] [11]
and Preliminary Study of Crystals
Relation with

for X-ray
Properties
Plasticity
1.1 {continued)
for Selection
Work
Structure
Single crystals: avoid cutting
and
(a)
material
Polycrystalline
deformation
tropic
tain
Non-directive bonding between large,

units
strongly-built
grinding.
is
often strongly aniso-
and may then be used
single
structures such as
plastic
or
double
(fibres, metals, see
to ob-
layer
chloride,
etc.).
(i)
flow may also be caused by

mechanical twinning [1] [6] [7],
(ii)
lattice
(b) Plastic
orientation
Section
(paraffins,
cadmium
5.1).
imperfections
[2]
[3] [10].
C. Optical Properties
(i)
Transmission of Light
Refractive index
(a)
Checking of quality of
homogeneous
Birefringence
[12] [23] [24]
(b)
crystal:
extinction,
(a)
ference figures [12] [23].

Extinction direction used for set-
(b)
Shape and orientation of indicatrix
polarizability,
anisotropic
or rod-shaped molecules, or
complex ions [28].
Complications (i) interaction of neighe.g. flat
nitude
orientation.
bouring groups; (ii) anisotropic groups

may have more than one orientation.
Theoretical calculations of refractive
indices have been carried out only in very
few cases
Optical activity
indicate
strongly
Mag-
of refractive index may

be used for identification of crystal
may
be useful for finding orientation

of large atomic or ionic groups with
badly
directions of light vector.
refractive index
may
formed or ground
crystals: relation between symmetry of crystal and vibration
ting
High
close packing [28] F[2].
inter-
[2] [5] [16].
Distinguishing
between optical
antipodes in studies of absolute con-
Section 3.8. Difficult to measure, or even
figuration.
detect, in optically biaxial crystals.
Information on symmetry, see Vol.
No
I,
obvious relation with structure;
theoretical interpretation extremely
diffi-
cult [3] [6] [7] [17] [18] [20].
(ii)
Absorption of Light
Visible light
(pleochroism)
Identification of crystal orientation
(a)
by dependence of colour on direction

of light vibration
[19].
(b)
Extended conjugated-bond systems

have strong absorption of light vibrating parallel to system, weak absorption of vibration perpendicular to
system [13]. Clear correlation only if
systems are all parallel, e.g. one
system per asymmetric unit in space
groups PI and PI [8].
Stringlike arrangement of some atoms,
e.g.
of iodine in polyvinylalcohol,
produces strong absorption of light
vibrating parallel to string.
1.1.
TABLE
Crystal
1.1 {continued)
Properties
for X-ray
Visible light
Relation with
Structure
Work
(c)
{continued)
In inorganic compounds, absorption

greatest for light vibrating along
is
directions in
which the ions are
dis-
torted [12].
No
Infra-red light
direct use.
(a)
[2] [31 [4] [21] [22]
(b)
Absorption frequencies are characteristic of small atomic groupings and

their immediate surroundings.
Dependence of absorption on vibration direction,
(i)
Stretching frequency
direction of largest absorption roughly

to bond, (ii) Bending frequency direction of largest absorption
roughly normal to bond.
parallel
Complications: (i) interaction of

neighbouring groups
(ii) anisotropic groups may have more
than one orientation [15].
(c) Information on symmetry of molecules of complex ions [14] [27].
{d) Information on presence of hydrogen
bonds and/or water of crystallization.
(Hi) Reflection
of Light
[25] [26]
Opaque substances contain

bound electrons.
Infra-red light
(a)
Visible light
(b)
loosely-
There are relations between reflection

and absorption bands [10] [11].
Dependence of reflectivity on vibration direction gives information about
orientation of vibrating system [11]
[13].
(iv)
Scattering of Light
Raman
effect
(a)
Raman
frequencies may be characof small atomic groupings,

and their immediate surroundings [9].
Dependence of intensity and polarization of Raman lines on the orientation
of incident and scattered beam with
respect to the crystal gives information
on the orientation of the scattering
groups.
Complications:
with infra-red
as
absorption [9].
Information about symmetry of molecules or complex ions [1].
teristic
[21] [22]
(b)
(c)
1.1.
TABLE
Use
Crystal
1.1 {continued)
of Crystal Properties for Selection and Preliminary Study of Crystals
Relation with

for X-ray
Properties
Work
Structure
D. Magnetic Properties
Para- and diamagnetic
susceptibility
(a)
and
anisotropy
[12] [15]
(b)
In an isomorphous series of paramagnetic salts the values of average

susceptibility x and of magnetic anisotropy are dependent on the nature of
the paramagnetic ion [7].
The shape of the co-ordination polyhedron may be found from the crystal
susceptibilities [4] [13].
In crystals of aliphatic non-conjugated

organic compounds the numerically
largest diamagnetic susceptibility is
along the direction in which lie the
largest molecular dimensions [8].
(d) In crystals containing aromatic compounds, or molecules having a system
of coplanar conjugated bonds, the
numerically largest molecular diamag(c)
netic susceptibility
is
normal to the
plane of the molecular orbitals, and

hence the crystal anisotropy may
give information about the molecular
orientations
Ferromagnetism,
antiferromagnetism and
ferrimagnetism
[6] [14]
Ferro-
may
or
ferrimagnetic
powder
be oriented by application of
magnetic field.
[9].
Neutron diffraction by magnetic compounds may give information about the

directions of the resultant spin and orbital
moments. X-ray diffraction effects due to
ferro-, antiferro- or ferri- (mixed) magnetism
are
phenomena
usually
only
second-order
[2],
In magnetic materials the interatomic

and in antiferromagnetic oxides
the valency angles at the oxygen ions, are
related to the diameter of the incomplete
distances,
electron shell.
These are group phenomena which may

change abruptly with temperature, although gradual changes also occur.
Nuclear magnetic
resonance (NMR)
(a)
NMR
Line width of
spectra is related
to the distances between those nuclei
which
[1] [3] [51 [10]
have
magnetic
moment.
Plausible positions of these atoms in

the structure may thus be checked.
Mainly used for protons, but also

applicable to e.g. F, Al [11].
(b)
Study of phenomena such as diffusion,
and rotation of certain groups, at

temperatures where neutron diffraction
is less
convenient.
1.1.
TABLE
Crystal
1.1 (continued)
Properties
for X-ray
Relation with
Work
Structure
E. Electrical Properties
Ferroelectricity indicates (a) a structure

of polar symmetry, (b) the likelihood (not
certainty)
of another high-symmetry
structure of nearly equal energy, derivable
from the ferroelectric by a displacive
Ferroelectricity
[2] [4] [5] [7]
transition; often there are several struc-
same ideal strucand some antihaving similar moments
related to the
tures
all
ture,
some
ferroelectric
ferroelectric
(i.e.
balanced within the unit

Piezo-
cell).
Information on symmetry, see Vol.
and
I,
Section 3.8.
pyroelectricity
[1] [3] [6] [8]
F.
Thermodynamic Properties
[3]
Specific heat
(a)
(b)
transition(s)
if
or
continuous
are
and
marked [6].
of marked disorder
disif
is
Evidence
approaching
point
(d)
poly-
to
at /?=
Assessment
continuous
hysteresis
(c)
temperature(s)
1 atm.
Transition
morph^)
[1]
transition
or
on
melting
[6] [7].
Assessment of characteristic Debye

(<9 D ) and/or Einstein (@ E ) temperatures
[1].
Melting point (M.P.)

[7]
Atoms
low melting
point often have large thermal movement: X-ray work should then prein crystals with
ferentially
tures well
be carried out at temperabelow melting point.
High melting point may indicate existence of high-temperature transition(s).

(b) In a series of homologues, both melting heat and melting entropy increase
(a)
linearly, so that M.P. increases towards an asymptotic limit. Anomalous M.P. in first terms of series indicates different packing [7].
(c)
Symmetrical, spherically-shaped molecules have often a relatively high
M.P.
[4].
(d) Abrupt change of M.P. in a series

(e.g. fluorides of the second row of the
Periodic System) may indicate change
from all-ionic to a mixture of ionic and
molecular bonds
10
[5].
1.1.
TABLE
Crystal
for Selection
and Preliminary Study of Crystals
Relation with

for X-ray
Properties
Work
For determination
Density
1.1 (continued)
Structure
see Section 1.3.
molecular weight known: determination of number of formula units

per cell.
(b) Determination or check of molecular
weight or of a small multiple or submultiple thereof. Detection of liquid
of crystallization, isomorphous replacement, etc.
of approach to close
(c) Assessment
packing [2],
(d) Detection of first-order transitions
with change of temperature or pres(a) If
sure
Thermal expansion
(a)
[6].
Abrupt variation with change of temperature or pressure indicates second-
(b)
order transition [6].

Measure of strength of interatomic or
intermolecular bonding. (See Section
2.6.)
(c)
[3].
Thermal expansion usually greatest in

direction normal to layers or chains.
(Ibid.)
G. Chemical Properties
Not
Chemical analysis
Stereochemistry from
tates choice
reactions
of attack.
Attack of surface
[5]
A[\0]
A[U]
(a)
(b)
essential [3] but greatly facili-
of problem and method
Numbers and kinds of atoms in the

molecule known, and to a limited extent
their relative positions.
Used to shape crystals.

Etch figures can sometimes
cate orientation of crystal.
(a)
indi(b)
(c)
Etch figures are sensitive indicators of

point-group symmetry [5].
Grain or sub-grain boundaries are
often more reactive and may thus be
marked-by a row of etch pits [4].
Etch figures changing orientation on a
face
Oriented growth on
parent crystal [7]
(a)
(b)
11
may
reveal twinning.
Epitaxy often reveals similarity of

lattice parameters and even atomic
arrangement in the interface [2] [7].
Grain boundaries and twinning orientations may be marked by epitaxial
growth, or by oriented growth of
crystals or reaction product on mother
crystal ("topotaxy") [1] [4] [6].
1.1.
References
A. Morphological Properties
[1]
[2]
C. Optical Properties
Bragg, W. L. The Crystalline State, 1, p. 177. (Bell,

London, repr. 1955).
Donnay, J. D. H., and Harker, D. Amer. Min., 22,
[1
[4]
[5]
[6]
Acad.
[8]
[9]
Donnay,
J. D. H., and Taylor, E. D.

Naturaliste
Canadien, 67, 145, 1940.
Frank, F. C. Article in Growth and Perfection of
[11]
Leipzig, 1923).
Crystal Lattices (Clarendon Press, Oxford, 1956).

L. Proc. Roy. Soc,
105, 370, 1924;
ibid.,
[13]
P., and Perdok, W. G. Acta Cryst., 8,

49,521,525, 1955.
de Jong, W. F. General Crystallography {a brief
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Nabarro, F. R. N., and Jackson, P. J. Article in
Growth and Perfection of Crystals, Doremus,
R. H., et al. p. 14, (Wiley, New York, 1958).
Condon,
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Introduction to Crystallography,
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Haas, C. "Vibration Spectra of Crystals," Thesis,

Amsterdam, 1956; Spectrochim. Acta, 8, 19, 1956.
Haas, C, and Mathieu, J. P. J. Phys. Radium, 15,
[12
Hartshorne, N. H., and Stuart, A.
[10
2nd ed. (Longmans, Green, London, 1956).

Raaz, F., and Tertsch, H. Einfuhrung in die geometrische und physikalische Kristallographie, 3rd
492, 1954.
Terpstra, P. Kristallometrie (Wolters, Groningen,

1946, in Dutch).
Tutton, A. E. H. Crystallography and Practical
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[3]
[4]
Goldschmidt, V.
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[13T
M.
gesetze, VIII.
Skr.
No.
1926.
8, 1,
Geochemische
Norske Vid. Akad.
Oslo,
Hornig, D.
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Hylleraas, E. A. Z. Phys., 36, 859, 1926;
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F. /. chem. Phys., 16, 1063, 1948.
Disc. Far.
ibid., 44,
Kauzmann, W.
J.,
Walter,
J.
E.,
and Eyring, H.
"Theories of Optical Rotatory Power," Chem.

Rev., 26, 339, 1940.
T. M. Optical Rotatory
[18
Lowry,
[19
Green, London, 1935).

Mandarino, J. A. "Absorption and Pleochroism,"
[20
Amer. Min., 44, 65, 1959.

Mathieu, J. V. Les Theories moleculaires du Pouvoir
[21
Idem.
Power (Longmans,
rotatoire naturel (Gauthier-Villars, Paris, 1946).
[8]
Z. Kristallogr., 71, 413, 1929.

Schmidt, E., and Boas, W.
Spectres de Vibrations et Symetrie des Mole-
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(Hermann,
Paris, 1945).
[22
Idem. Spectres de Vibration et Structure des Composes

de Coordination; Chemistry of the Coordinate
Compounds, A Symposium, p. 33 (Pergamon
Kristallplastizitat
[23
Pockels, F.
Berlin, 1935); Plasticity of Crystals

(Engl, transl., Hughes, London, 1950).
[24
Rogers, A. F., and Kerr, P. F. Optical Mineralogy

(McGraw-Hill, New York, 1942).
Schneiderhohn, H. Erzmikroskopisches Praktikum
schiebungen, Translationen und Zwillingsbildungen,
Press,
(Springer,
Seeger, A. Kristallplastizitat, in Handbuch der Physik,

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[10] Shockley, W., et al. Imperfections in Nearly Perfect
[25
New
[26
Die Festlgkeitserscheinungen der KriVienna, 1949).

Winkler, H. G. F. Struktur und Eigenschaften der
[27
Crystals (Wiley,
and
York, 1952), Sections
Tertsch, H.
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2nd
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B5 and B6
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[9]
[12]
Chem. Organisch. Naturst.,
[15
[17
I.
[7]
[11]
Fortschr.
[14
Verteilungs-
Idem. Z. techn. Phys., 8, 251, 1927.

Hall, E. O. Twinning and Diffusionless Transformations in Metals (Butterworths, London, 1954).
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Kl.,
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Friedel, J. Les Dislocations (Gauthier-Villars, Paris,
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and MacGillavry, C. H. Acta
Rev.
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[2]
E. U.
Eichhorn, E.
[16
[1]
106, 346, 1924.
Braude, E. A., and Nachod, F. C. Determination

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Hartman,
An
Bragg, W.
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[12]
9, 224, 1939.
Born, M. Optik (Springer, Berlin, 1933).

Born, M., and Huang, K. Dynamical Theory of
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Sci.,
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[7]
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[3]
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Microscopic Determination of Ore

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12
Wooster, W. A. A Textbook on Crystal Physics, chap. V

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[1]
Andrew,
[2]
Bacon, G. E.
6]
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Neutron Diffraction, chap. IX-XI
(Clarendon Press, Oxford, 1955).
Das, T. P., and Hahn, E. L. Nuclear Quadrupole
Resonance Spectroscopy; Solid State Physics
[3]

and Lewis, J. Article in Modern
Co-ordination Chemistry ; Principles and Methods.
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(Interscience, New York, 1960).
Suppl.
[4]
[5]
[7]
Grivet, P.
La
F.
ed.
Blackman, M. "The Specific Heat of Solids," in

Handbuch der Physik, ed. Flugge, S. VII/1
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Fairbairn, H.
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(D.
6]
Ubbelohde, A.
7]
Idem.
Wiss.,
Univ. Press, Ithaca. 1960).

"Thermal Transformation in
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Solids," Quart. Rev. Chem. Soc, Lond., 11, 246,
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[12]
Nye, J. F. Physical Properties of Crystals, chap.

[13]
Nyholm, R.
/. Inorg.
S.
Ill
1]
2]
3]
E. Electrical Properties
Kanzig, W.
[3]
Mason, W.
[4]
Megaw, Helen.
"Ferroelectrics
(McGraw-Hill,
New
S.,
and
Antiferroelectrics,"
5]
York, 1950).
Ferroelectricity in Crystals
et
al.
Article in
Dislocations
and
Mechanical Properties of Crystals, ed. Fisher,

J. C. et al., Part 1 (Wiley, New York, 1956).
Bragg, W. L. Atomic Structure of Minerals, p. 171
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P. Piezoelectric Crystals (Van Nostrand,
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G. Chemical Properties
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Nucl. Chem., 8, 401, 1958.
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Wannier, G. H. Elements of Solid State Theory,
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Ketelaar, J. A. A. Chemical Constitution (Elsevier,
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Thermodynamic Properties
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Shockley, W. et al. (Wiley, New York, 1952).
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1957).
Shirane, G., Jona, F., and Pepinsky, R. "Some

Aspects of Ferroelectricity," Proc. Inst. Radio
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13
Immersion Media for Measurement of Index of Refraction
1.2.
Media for General Use

The immersion media listed in Table 1.2.1 are easily
prepared, stable, and generally satisfactory. They
were selected because they require only a small number
1.2.1.
1.2.2. Details
of liquids for their preparation. In general, each liquid

miscible in the liquids with higher and lower indices
of refraction so that any intermediate mixture can be
easily prepared.
is
The
measured
to n= 1-770 are measured on an Abbe

those with higher values for n are
up
liquids
refractometer
a hollow glass prism prepared from

and mounted on a goniometer
or on a spectrometer ([8], pp. 18-20; [4]).
A set of immersion liquids with indices of refraction
differing by one unit in the second decimal place
(1-510, 1-520, 1-530,
.) is used for routine work. The
liquids are best kept in 1 5 ml dropping bottles with
plastic caps and glass dropping rods. These bottles are
more satisfactory than the more expensive dropping
bottles with solid glass stoppers and ground-glass caps
because there is less trouble with the stopper cementing
to the bottle. The bottle should be about half full.
arsenic they contain.
in
West [16] proposed a set of immersion liquids,

covering the range from 1-78 to 2-06, made of methy-
selected object glasses
Some
concerning Immersion Liquids
Borgstrom [1] [2] was the first to prepare generally

satisfactory immersion liquids containing arsenic tribromide. These have been improved recently [15]
[11] [13]. The liquids have been tested over a period
of three years and are still in good condition. They
give an acid reaction and hydrolyse in contact with
water vapour. They decompose some acid-soluble
minerals and some hydrous minerals, their fumes corrode metal, and they are poisonous because of the
and sulphur. These liquids

and dangerous. They are not as
stable as the arsenic tribromide liquids and seem to be
less satisfactory for general use. They react with few
minerals and are necessary for some measurements.
Emmons ([5], p. 63) has proposed a set of liquids
covering the range from 1-469 to 1-808, in which each
liquid is a chemical compound and little mixing of
liquids is required. These liquids are especially useful
in the double-variation method of measuring indices
of refraction. Piperine, and a mixture of three parts of
Sbl 3 and one part of Asl 3 form melts with indices of
refraction ranging from 1-68 to 2-10 [9].
Merwin and Larsen [10] proposed melts of sulphur
and selenium to cover the range 2-05-2-72. These
lene iodide, phosphorus
are inflammable
crystals dissolve rapidly in the liquids tested.
measurement can usually be made by performing

the reading rapidly. If the crystal and the liquid have
nearly the same indices of refraction, the index of the
liquid is not much changed by the solution of the
crystal.
TABLE
1.2.1
Immersion Liquids for Measurement of Index of Refraction
Temperature
20
coefficient
Dispersion
(dn/dT)
x 10- 4
Slight
Water
1-333
Glycerol
1-473
do.
'.
1-400
1-814 (25 C)
xlO- 4
4-8 xlO" 4
3-8 xlO- 4
3-5 xlO" 4
4 xlO- 4
4 xl0~ 4
6-4 xlO" 4
6 xlO" 4
7 xlO- 4
2-003 (25 C)
xlO" 4
do.
2-11 (25 C)
xlO- 4
do.
rc-Octane
1-434
w-Hexadecane
Kerosene
Petroleum oil (Nujol)
a-Chloronaphthalene (Hallowax oil)
Methylene iodide
Methylene iodide saturated with sulphur
AsBr 3 plus 10% sulphur (mix with methylene iodide
or a-bromonaphthalene for lower n)
2S, 2As 2 S 2 6AsBr 3 (mix with 10% sulphur in AsBr 3
.
1-448
...
1-477
1-626
1-740
1-778
2-2
Slight
do.
do.
Moderate
Rather strong
do.
do.
for lower n)
2Se,
2As 2 S 2 6AsBr 3 (mix with 10% sulphur

,
in
AsBr 3
for lower n)
Note. Further lists are given by Hartshorne, N. H. and

Arnold, London, 3rd edition, 1960.
14
Stuart, A., Crystals
and
the Polarising Microscope,
..
IMMERSION MEDIA FOR MEASUREMENT OF INDEX OF REFRACTION
1.2.
melts seem to be the best media available for the range

from 2-10 to 2-72. Above w=2-20 the indices must be
determined for the red light of lithium. Mixtures of Se
and As 2 Se 3 have been used for melts up to 3-17 for Li
Indices of refraction of aqueous solutions are not

constant because of the evaporation of water. Where
solubility characteristics permit, organic liquids of
substantially low volatility have been used in place of
light ([8], p. 17).
aqueous solutions. Jelley ([6], p. 240; [7], p. 936) has

proposed the series of organic liquids given in Table
1.2.3.
Media
1.2.3B.
for Organic Substances
Organic solids are generally soluble in organic

liquids. Aqueous solutions of inorganic salts ([12],
p. 403 [6], p. 243) are used for the determination of
the low indices of refraction of organic crystals.
Wherry [17] prepared liquids covering the range
from = 1-333-1-71. He dissolved 2-88 g of potassium
iodide and 3-38 g of mercuric iodide per ml of a mixture of equal volumes of water and pure glycerol. He
evaporated the solution on a steam bath to a point of
incipient crystallization and found that at 20 C its
index of refraction is approximately 1-71. For lower
indices of refraction this solution is diluted with
The adjacent
TABLE
Immersion Liquids for
1.2.3B
Use with Organic Crystals of
Low
Solubility
n
"D
Compound
solutions containing mercuric salts are
and dangerous to use. Table 1.2.3 A lists aqueous

solutions proposed by Jelley ([6], p. 243) for use with
organic crystals. These are essentially non-toxic.
toxic
1-41
Triethyl citrate
1-44
Tri-w-butyl citrate
1-44
H-Butyl phthalate
1-49
a-Bromonaphthalene
a-Iodonaphthalene
Methylene iodide
1-66
1-41
1-70
1-74
TABLE
20
Diethyl oxalate
Di-w-butyl carbonate
.
glycerol (=l-42).
The aqueous
liquids are miscible.
1.2.3A
Aqueous Solutions for Use as Immersion Liquids for

Organic Crystals
For high refractive indices of organic substances the

media at the end of Table 1.2.1 have to be used.
D20 c of saturated
Salt
solution
Because of the nature of their composition these

immersion liquids will necessarily be good solvents for
many
Lithium iodide
1-490
Sodium
1-496
iodide
Potassium iodide
1-456
Barium iodide
1-528
Tetrasodium dioxypenta1-615
thiostannate
([6],
1.2.
[1]
[5]
87, 58, 1929.
[6]
zur Entwicklung der Immersions-
[2]
Idem.
[3]
methoden. II Vervvendung von Antimonbromid.

Versuche mit Selen. Ibid., 101, 28, 1933.
Bryant, W. M. D. Optical crystallographic studies
Where
solution of the
pp. 236-40).
Emmons, R. C. The universal

America Mem., No. 8, 1943.
15
Geol.
Soc.
microrefractometer and its use in

chemical microscopy. Jour. Royal Micros. Soc,
Jelley, E. E.
[3] 54,
measurements. /. Amer. Chem. Soc, 65, 96, 1943.

Butler, R. D. Immersion liquids of intermediate
refraction. Amer. Min., 18, 386, 1933.
stage.
234, 1934.
[7]
Idem. Article on Microscopy in Techniques of Organic

Chemistry (editor, A. Weissberger), 2nd ed., 1,
pt. 1, 847 (Interscience Publ., New York, 1949).
[8]
Larsen, E.
with the polarizing microscope, IV. Axial dispersion with change of sign. Other dispersion
[4]
[14].
References
Borgstrom, L. H. Ein Beitrag zur Entwicklung der

Immersionsmethode Comm. geol. Finlande Bull.,
Beitrag
organic crystals
immersed phase occurs, the immersion liquid is saturated with the crystalline material being examined ([3],
p. 97), and when the immersion liquid and the crystal
are matched the index of refraction of the saturated
immersion liquid is determined by using a microrefractometer such as the one described by Jelley
S., Jr., and Berman, H. The microscopic

determination of nonopaque minerals (2nd ed.).
U.S. Geol. Survey Bull., No. 848, 1934.
REFERENCES
[9]
Merwin, H.
E. Media of high refraction for refractive index determinations with the microscope;
also a set of permanent standard media of low
refraction.
Washington Acad.
[13]
Idem. Arsenic tribromide immersion liquids of high

index of refraction. Science, 122, 1272, 1955.
[14]
Idem.
[15]
Meyrowitz,
Sci. Jour., 3, 35,
1913.
[10]
Merwin, H. E., and Larsen, E. S., Jr. Mixtures of

amorphous sulfur and selenium as immersion
ser.,
34, 42, 1912.
Meyrowitz, Robert.
liquids.
[12] Idem.
new
series
media of high index of
refraction.
[16]
West, C. D.
[17]
Wherry,
of immersion
Amer. Min., 37, 853, 1952.
A compilation and classification
R.,
and Larsen, E.
S., Jr.
liquids of high refractive index.

1951.
media for the determination of high refractive

indices with the microscope. Amer. J. Sci., 4th
[11]
Solvents and solutes for the preparation of

immersion liquids of high index of refraction.
Amer. Min., 41, 49, 1956.
Immersion liquids of high refractive

index. Ibid., 21, 245, 1936.
E. T.
The
of immersion
identification
Ibid., 40, 398,
compounds.
1955.
679, 1918.
16
Immersion
Ibid., 36, 746,
application of optical methods of

alkaloids and other organic
U.S. Dept. Agriculture Bull., No.
to
Determination of the Density of Solids
1.3.
Technique
1.3.1. Introduction
The
classical techniques
described by Tutton
An
excellent
and
less
and
[19],
When
of density measurement are
and by
Reilly
and Rae
is layered over another of greater

with which it is miscible, a linear
gradient of density develops near the surface. Manipulation of a plunger-type stirrer in a vertical tube can
extend the gradient over the greater part of the
column. In the absence of convection the process of
diffusion in a column of this type is so slow that the
gradient will be maintained virtually unchanged for
many months.
crystal introduced into the tube falls down until
it reaches a level corresponding to its own density,
detailed review of both the standard
common methods
is
given by
Mason
[11].
Because this work is often not readily available, some

of the references compiled by Mason have been cited
here.
1.3.1.1.
General Precautions
Meticulous temperature control
is
essential for the
The utmost care must be taken to

avoid air bubbles and inclusions. In those techniques
which require immersion of the solid in a liquid it is
assumed that no interaction occurs between the liquid
and the solid, and that the volume of the liquid displaced represents the true volume of the solid. For
most hard crystalline materials, liquids can easily be
found for which these assumptions are valid. However, for amorphous powders, porous structures such
highest precision.
where
it will remain stationary. The density gradient

be calibrated either by introducing immiscible
liquid drops of known density, or by the use of a
micro- Westphal balance designed for the purpose [16].
With an adequate thermostat, measurements may be
made at any temperature between the freezing and
boiling points of the mixtures involved.
Powders and crystals with cavities or inclusions may
be ground to a slurry with the lighter column liquid,
subjected to reduced pressure to remove trapped air
bubbles and then introduced into the gradient tube.
With hygroscopic materials these operations are carried out in a dry atmosphere. Finely divided material
settles rapidly if the tube is centrifuged. Although
centrifugation does not markedly affect the gradient,
the column should be calibrated after this step.
If such samples are homogeneous, they will form a
thin layer after centrifuging. If, on the other hand,
some air bubbles or inclusions still remain, or if the
sample is truly a mixture, a distribution of material
will be observed. The density of the material of
interest can then usually be obtained by measurement
of the appropriate layer, generally the most dense,
without further treatment of the sample. This is the
only technique by which the homogeneity of the
sample can be tested simply. All other methods provide an average density value. A satisfactory technique for removing crystals from the gradient column
has not been devised. If a precision of 0002 g/ml
is adequate, it is simplest to prepare a new wide-range
column for each determination in a 10 ml test tube.
may
and natural and synthe measured "density" may depend

the particular liquid chosen and the
as zeolites, crystalline proteins,

thetic
fibres,
markedly on
details of the
method
applied. In these cases penetraof the solid will depend on a variety of

factors such as interfacial tension, the relation of pore
size to molecular dimensions, adsorption and electrotion or swelling
strictive forces.
The structural unit to which the
measured density applies may be very difficult to
specify. Even with materials not subject to these difficulties, variability in the measured density is frequently
found. Such variations may arise from differences in
trace impurities or in the previous history of the
sample
[4].
1.3.2. Description
The
one liquid
specific gravity,
[14].
and Discussion of Techniques
discussion here will be limited to six general
methods, of which at least one may be adapted to the

requirements of almost any problem. The method of
choice will depend to a large extent on the nature of
the material under study. The merits and disadvantages of each method will be discussed.
Suitable Substances for

1.3.2.1.
Gradient Tube
representative liquids are listed in Table 1.3.2

All of these are readily available. For further informa-
This technique is simple, versatile, and capable of

the greatest sensitivity. It is the method of choice
except in those cases where immersion liquids with an
tion see [12] and for very heavy liquids [17],

dardized solutions or mixtures from one
appropriate density and chemical inertness cannot be

found.
Table
Originally devised by Linderstrom-Lang [8]-[10]

for the determination of the density of aqueous solutions, the procedure has been adapted for the measure-
tions of the basic
ment of crystal
densities
Columns
Some
by
Low and
Richards
may be used as calibrating

made from those of the other.
1.3.2
gradients
Stanlist
in
drops in
For rapid preparation of mixtures from stock
compounds a nomogram
solu-
very
given in Fig. 1.3.2 for the system
bromobenzene-xylene at room temperature. In the
useful, such as
[5].
17
is
is
1.3.
construction of the
nomogram
DETERMINATION OF THE DENSITY OF SOLIDS

it
medium
has been assumed
is then determined immediately by standard

techniques such as pycnometry, by the Westphal
balance, or by refractive index [13]. The method is
reported as capable of a probable accuracy as great
that the volumes of the liquids are additive. In general
assumption is not valid, but it is a

approximation for the purpose.
this
sufficiently
good
as 0-02%.
The compounds listed in Table 1.3.2 are also useful

method. With slurries or with specimens smaller
than 1 mm 3 a centrifuge must be used to achieve a
in this
l-50-i
1-40-
reasonable rate of settling.
As
material has been used with
good
fication of this
little
as 0-05
results [2].
mg
of
A modi-
method has been described in which the

medium is varied by altering
density of the immersion
the temperature [14] [21].
1-30-
1.3.2.3.
20-
1 -
Pycnometry
one of the most accurate, but also most

demanding, of the available techniques. A previously
calibrated pycnometer containing the sample is
This
is
liquid of known density is then introweighed.

duced, air bubbles are removed by reducing the pressure, and the filled bottle is reweighed. The volume of
the sample and its mass may thus be determined. With
may be achieved
care a probable accuracy of 0-02
1-0
100-
Contrary to many published statements, the

accuracy of this technique is not dependent to any
significant extent on the use of immersion media of
high density.
Liquids with low surface tension will facilitate the
removal of air bubbles. In some cases it is advantageous to fill the bottle with the mother liquid from
which the crystal grew. Powders or many small
crystals may be used as well as large single specimens.
There is no restriction on the density of the materials
for which this technique is suitable.
A micropycnometer for use with samples of total
volume as small as 0-01 ml has been described [18].
An accuracy of better than 1 % has been achieved with
[4].
0-90-
Fig. 1.3.2. Nomogram for the preparation of bromobenzene-xylene gradient column components at room
temperature. From the desired component density and
total volume the required amount of bromobenzene is
read from the chart, the volume difference being made
up with xylene. To adapt this chart to any other pair
only necessary to change the component

uniform scale is drawn up such that
the density of the heavy liquid lies at the point A while
that of the light liquid is at B. The volume scales may
be multiplied by any constant factor in order to change
of liquids
it is
density scale.
this instrument.
their range.
1.3.2.4.
Sensitivity
If narrow-range columns are carefully protected from

temperature changes and vibration, the accuracy of the
measurement may be increased 10- to 100-fold.
This technique
is
essentially
in
air
and again
in a liquid
of the suspending medium.

A torsion microbalance has been adapted to the
determination of crystals as small as 25 mg [1].
may be achieved
probable accuracy of better than 1
this
micro-method.
with
The method is not suitable for finely-divided
an approximation to the
is immersed in a
The specimen
and a denser or less dense liquid miscible with

added until the sample neither rises nor sinks
the solution [20]. The density of the immersion
liquid,
the
weighed in
close to that of the crystals as possible. For precise

work correction must be made for the interfacial tension between the supporting wire and the upper surface
Flotation Method
gradient- tube method.
is
of accurately known density. From the apparent loss

of weight the volume is computed, and thence the
density [14]. The technique requires little special
equipment and is capable of great accuracy when used
with large, well-formed crystals. The accuracy is
maximized by using immersion liquids of density as
The range of density covered by a column, and thus

the accuracy of the determination's controlled by the
liquids or liquid mixtures chosen for the top and botprecision of about 0-002 g/ml
tom components.
can easily be obtained without any special precautions.
1.3.2.2.
Method of Archimedes
The specimen
first is
materials.
18
1.3.
DETERMINATION OF THE DENSITY OF SOLIDS
TABLE
Possible Substances for
1.3.2
Use as Gradient-column Components

Hydrophilic components
Hydrophobic components
Approximate
maximum
Approximate
density
of concentrated
Solute
density
at 25 C
Liquid
aqueous solution
at 25
(g/ml)
(g/ml)
0-86
-0-8
-0-5 -0-8
-0-85
110
-11
1-49
-1-3
-1-9
-2-7
-0-9
-2-2
-2-6
Iso-octane
0-69
Kerosene
m-Xylene
Chlorobenzene
0-79
Bromobenzene
Carbon tetrachloride
Methyl iodide
1-60
2-28
Bromoform
2-89
s-Tetrabromoethane
Methylene iodide
The
2-96
3-32
density at temperature
the formula
1.3.2.5.
d =d25 +l0^
t
fC
Sodium
1-80
Zinc bromide
Zinc iodide
Thallous formate
Thallous formate-malonate
accuracy
is
quartz
and a
in
fibre,
at
free
which can be
one end,
filled
its
mother
liquor.
VOLUMENOMETRY
This is the only technique not requiring immersion

of the sample in a liquid medium. The technique is
therefore used in instances where the specimen would
be attacked by the customary immersion media, or
where one wishes to work over a temperature range
where liquid media would be inappropriate.
The gas pressure change caused by altering the
volume of a calibrated vessel by a given amount is
determined when the vessel is empty, and again after
the weighed specimen has been introduced [14].
Any gas inert to the crystal may be used. Powders
and crystal fragments may be employed.
may be
probable accuracy as great as 0- 1
attained. Samples with an aggregate volume as low as
0-01 ml. have been measured with a probable accuracy
[7] [15].
in a glass case
4-3
related inversely to the difference in density
1.3.2.6.
composition,
horizontal
3-5
.
*(t-25).
Immersion Microbalance
mounted
2-39
can be computed by substituting the values of the density at 25
and thus their density, when

removed from the mother liquid in which they were
grown. The density may then be computed from the
weight of the crystal immersed in its mother liquid, the
density of the latter, and the volume of the crystal
1-63
200
between the crystal and
[6]
1-40
Ferric sulphate
Some crystals, such as those of the globular proteins

grown from alcohol-water mixtures, rapidly change
their
1-20
chloride
Potassium tartrate
Potassium iodide
is
with liquid.
After calibration, the deflection of the fibre gives the
weight of an immersed crystal suspended on the free

end. The volume is computed from the crystal dimensions as determined from two photomicrographs of
the immersed crystal taken at right angles to each
other. The density of the mother liquor is measured
by one of the standard techniques for liquids.
The method is suitable for single well-formed crys3
or greater. The
tals having a volume of about 0-1
mm
ofl%[3].
19
References
1.3.
[1]
[2]
A torsion microbalance for the determination of specific gravities of minerals. Amer.

Min., 24, 434, 1939.
Berman, H.
Bernal,
D., and Crowfoot, D. Use of the centrifuge in determining the density of small crystals.
Nature, Lond., 134, 809, 1934.
[12]
Hauptmann,
[4]
A171, 36, 1934.

Johnston, J., and Adams, L. H.
new
R., Cuttitta, F.,
diluent for
and Hickling, N.
bromoform in heavy liquid
separation of minerals.
J.
[3]
Meyrowitz,
Amer. Min., 44, 884,
1959.
[13]
Midgley, H. G.
A quick method of determining the
density of liquid mixtures.

1951.
and Schulze, G. E. R. Uber ein

neues Mikrovolumenometer. Z. phys. Chem.,
H.,
Acta
Cryst., 4, 565,
[14]
Reilly, J., and Rae, W. N. Physico-Chemical

Methods, 5th ed., Vol. 1. Pp. 577-608 (van
Nostrand, New York, 1954).
manent changes produced by high pressures.

/. Amer. Chem. Soc, 34, 563, 1912.
Low, B. W., and Richards, F. M. The use of the
[15]
Richards, F. M.
gradient tube for the determination of crystal

Ibid., 74, 1660, 1952.
Determination of protein crystal densities.
[6] Idem.
Nature, Lond., 170, 412, 1952.
[7] Idem. Measurements of the density, composition and
related unit cell dimensions of some protein
[16]
Richards, F. M., and Thompson, T. E. Application

of Mohr-Westphal balance to rapid calibration of
wide range density-gradient columns. Analyt.
On
the density of
solid substances, with especial reference to per-
[5]
densities.
[8]
[17]
[18]
Nature, Lond.,
139, 713, 1937.

[9]
Linderstr0m-Lang, K., and Lanz, H.,
Jr.
Studies
Chem., 1A, 1052, 1952.

Sullivan, J. D. Heavy liquids for mineralogical
analyses. U.S. Bur. of Mines Tech. Paper No.
381, 1927.
crystals. J. Amer. Chem. Soc, 76, 2511, 1954.

Linderstr0M-Lang, K. Dilatometric ultra-micro-
estimation of peptidase activity.
microbalance for the determination of protein crystal densities. Rev. Sci. Instr.,
24, 1029, 1953.
[19]
on
enzymatic histochemistry, XXIX. Dilatometric

micro-estimation of peptidase activity. Compt.
rend. Lab. Carlsberg, Sir. chim., 21, 315, 1938.
[10] Linderstrom-Lang, K., Jacobsen, O., and Johansen,
G. On the measurement of the deuterium content
in mixtures of H a O and
a O. Ibid., 23, 17, 1941
11] Mason, B. The determination of the density of solids.
Geol. Foren. Forh., 66, 27, 1944.
Syromyatnikov, F. V.
The micropycnometric
method for the determination of specific gravities
of minerals. Amer. Min., 20, 364, 1935.
Tutton, A. E. H. Crystallography and Practical
Crystal Measurement, Vol. 1 Pp. 625-39 (Macmillan, London, 1922).
Wulff, P. and Heigl, A. Methodisches zur Dichtebestimmung fester Stoffe, insbesondere anor.
[20]
ganischer Salze. Z.phys. Chem., A153, 187. 1931.
[21]
Wunderlich,
mesurer
433, 1957.
20
J.
A.
la densite
Une methode
d'un
cristal.
rapide
Acta
pour
Cryst., 10,
1.4.
The two
Methods of Preparation and Mounting of Specimens

Special considerations applying to the preparation of
specimens for use in cameras and diffractometers are
chief classes of specimens are
The methods
1.
Polycrystalline.
2.
Single crystal.
at the end of the table [3] [5] [6].

Table 1.4.2. Under single-crystal specimens only the
handling of small crystal fragments, such as are required for rotation, oscillation, Weissenberg, or pre-
found
are subdivided according to suitability
for
(a)
Room
(b)
High temperatures.
(c)
Low
cession photographs is referred to. Table 1.4.2 gives

a list of adhesives suitable for mounting single crystals,
temperature (about 20 C).
with properties, notes on use, temperature range and
temperatures.
diffraction pattern.
Table 1.4.3 lists material for capillary tubes and

other vessels, with temperature ranges and diffraction
Methods in categories (b) and (c) are discussed in

terms of the limitations of the room-temperature
methods and the modifications which are necessary.
patterns.
Under polycrystalline specimens several

principal types must be recognized. This leads to the
classification adopted in the first column of the table.
some common contaminants,

made-up specimens.
Table
Table 1.4.4
1.4.1.
21
lists
the strongest diffraction lines of

either in adhesives or in
METHODS OF PREPARATION AND MOUNTING OF SPECIMENS
1.4.
TABLE
Room
1.4
temperature
Type of
specimen
Adhesive
Technique
Attachment to
Uses
camera.
medium
Specimen support
Bonded
1.
powders
wetting with water or
Mixing with adhesive,
Gum tragacanth
Ethyl cellulose
Glass or metal rod

tipped with an ad-
aqueous alcohol and rolling
hesive
resultant paste into a cylindrical rod between micro-
plasticine or adhe-
scope
2.
sive
and held
For general purposes.
in
wax.
slides.
Extrusion through glass
capillary of selected bore,
with glass or metal piston.
(a) Dilute solution
As above
of a fish glue
(b) Collodion
Valuable for weakly absorbing specimens, e.g. carbon

blacks, graphite,
etc.
3. Powder compressed and

compacted in a die without
binder, to form a solid rod.
Fibre-
supported
powders
Glass fibre (silica, Lindeor borosilicate of approximately 0-005 cm. diameter) moistened with adhe1
mann
sive
and rolled in the powder
to give a specimen rod of

0-03 cm. diameter.
None
As above
Canada balsam
End of fibre passed
(a)
diluted with xylene
into hole through
purposes.
(b) Dilute solution
specimen holder
and secured with
(a)
of
fish glue
Collodion
(c)
cement, plastic clay

or adhesive wax.
(b)
For general
Not
suitable if
powder is
sensitive
to water.
instan-
Sets
(c)
Used if
powder reacts with
taneously.
water.
(d) Viscous oil
(d)
Avoids curling
that
may
occur
with air-drying
media.
(e)
Gum tragacanth
and water
(e)
Not
suitable if
powder is
sensitive
to water.
Suitable
for quantitative
work, since as little
as 1% may be used.
2.
Glass fibre rolled in wet
mix (using collodion and

amyl acetate) and allowed
to dry vertically.
22
1.4.
riycrystalline-specimen
Mounting
Diffraction pattern
(spacings in
(a) Gum tragacanth

Two relatively weak
at spacings of:
A)
High temperature
Low temperature
Adaptability of roomtemperature methods
Adaptability of roomtemperature methods
All suitable in
bands with peaks

5-1
4-2
many
instances.
All generally suitable
Attachment of specimen support

to camera should be by means of
cement. Alternatively, the specisupport may be clipped
mechanically by a soft metal
support tube (e.g. nickel).
men
(a)
Fish glue
Diffuse
band
3-5-5-0
at:
(s)
(b) Collodion
Diffuse bands at:
4-45
2-09
(s)
(mw)
1-15 (vw)
Canada balsam
Heavy scattering at a not very low angle
(a)
at spacing of:
(b)
5-8
(s)
3-5-5-0
(s)
Fish glue
Diffuse bands at:
With
silica fibres,
hesive
(c)
Diffuse bands at
4-45
(s)
2-09
(mw)
1-15 (vw)
(e) Gum tragacanth

Two relatively weak
at:
is
if
powder
satisfactory, since even
and decomposition
of the binder the specimen powder remains attached to the fibre
support, provided that undue
vibration is avoided.
after heating
Collodion
and
chemically stable in camera

atmosphere, this method is generally useful for examinations up
to 1000 C. Canada balsam ad-
is
bands with peaks

5-1
4-2
23
Suitable
1.4.
TABLE
Room
Type of
specimen
Fibre-
supported
3. Hair of
ment.
fine
temperature
Attachment to
Adhesive
Technique
fila-
As above
Specimen support
for glass
Multiple fibres such as

wool.
4.
None
As above
fibres.
fibres
powders
{continued)
Uses
camera.
medium
organic
1.4.1 (continues
(rough sur-
face retains powder)
for glass
small
As above
for glass
fibres.
weight attached at
lower end may be
necessary to keep
fibre straight.
Me-
thod only suitable

when camera is
arranged so that
specimen axis is
vertical.
5.
As for
Metal wire.
glass fibres;
but surface
serrated
As
for glass fibres
for
Thin-walled tube of glass

or ceramic; lithium beryllium borate (Lindemann),
borosilicate (e.g. Pyrex)
glasses or fused silica are
1
most commonly
used.
Powder packed
Endoftubeheldin
For general pur-
recess in specimen
poses, but particu-
support.
larly when powders
requiring protection
from atmo-
sphere changes are

to be handled or it
Pre-
cm
re-
into container
without bonding
medium.
ferred dimensions for silica

0-03 cm bore, 0-005 cm wall
thickness, but 0-002
is
quired as reference
standard.
use
without adhesives.
Encased
powders
Particularly useful
when wire
may be
is
desirable to keep
the
for
powder
in
specimen composed of light
vacuo. For evacua-
elements.
tion silica
is
valu-
and a silica
fibre may be inserted into the end
able,
to assist the sealing

process.
Use
of
tube increases
background scattering in powder
photographs. Lin-
demann glass scatters less, is
what
water.
24
some-
sensitive
to
1.4.
>lycrystalline-specimen
Mounting
Low
High temperature
Adaptability of room-temperature methods
Not
Not normally employed
suitable
Metal wire is necessary for examination above 1000 C.

Metals such as platinum/rhodium also act as a calibration standard. The serrated-wire technique avoids
use of a bond of any kind.
Suitable.
High heat conduction must be guarded against.
Suitable
when material being examined must be

from the coolant to avoid possible reaction
This method has to be adopted when powder is liable

to react with residual gases in the camera or to
shielded
volatilize.
or change.
Glass capillary tubing can be used with temperatures

up to 300 C.
Silica capillary tubing is applicable for temperatures
of up to 1000 C.
At higher temperatures or when reaction with silica
likely, an alternative ceramic tube (e.g.
magnesia or alumina) must be adopted.
is
temperature
beryllia,
25
1.4.
TABLE
Room
Type of
specimen
Adhesive
Technique
Encased
powders
(continued)
2.
Thin- walled tube of
medium
cel-
As above
1.4.1 (continue
temperature
Attachment to
Uses
camera.
Specimen support
As above, but not
As above
lulose acetate, polystyrene
as suitable as glass
or other organic polymer.

Preferred dimensions:
0-03 cm bore, 0-005 cm wall
for
vacuum work.
Made by coating a
copper wire with a
solution of the
polymer. When the
polymer is dry the
copper may be re-
thickness.
moved by
stretch-
ing to reduce
its
radius.
Thin- walled tube of metal,

e.g. aluminium.
As above
As above
Specialized use
Specimens may have to be

formed to a convenient size
and shape, e.g. cubes of
None
Usually cameras
must be provided
1.
ticular surface.
with special plat-
2.
3.
Polycrystalline
blocks
0-5
cm edge, platelets, discs,
To study, by
non-destructive
purposes relatively
technique, textural
large diameter
cylinders
may be
of relamassive spe-
features
tively
Such feawould in any
rotated off-centre.
cimens.
constitutional
Often some
tures
features
tion
and textural
of the worked sur-
oscilla-
mechanism
desirable
face can suffer changes.
for
is
flat
surfaces, but this
may not be permissible
Wires
study a par-
For some
forms.
wedges, or small cylinders.

Machined, filed or ground
surfaces must be etched
appropriately; as both
To
If too large, diameter
may
when
certain
filing.
3.
To
obtain abso-
lute intensity
mea-
on
textural features
surements
are under investi-
specimens of "in-
gation.
finite" thickness.
As
In instances where
this form of speci-
for fibre-sup-
ported powders.
be reduced by etching, or a
glancing-angle reflection
technique applied. If too
small, a bundle of several
wires is sometimes appro-
event be changed
by powdering or
men
is
available
and preparation of
powder, for example by filing, would
destroy the infor-
priate.
mation required.
26
1.4.
)lycrystalline-specimen
Mounting
Low
High temperature
Not
suitable
temperature
Suitable
shielded
when
material
from the coolant
being examined must be

to avoid possible reaction
or change.
Only a few
special features are noteworthy. Surfaces

of reactive materials that may alter in the camera
atmosphere may sometimes be given a protective siliceous or aluminous coating, e.g. alumina cement.
Accurate temperature measurement is facilitated by
embedding a thermocouple in the actual specimen near
to the point of irradiation.
Similar considerations apply to wires as to block
may
occur in providing unithe block is of

relatively large dimensions. Prior to X-ray exposure,
adequate cooling time should be allowed for such specimens to reach temperature.
Suitable, but difficulties
form and
No
In addition protection from the camera

atmosphere may be afforded by enclosure in a thinwalled evacuated tube.
specimens.
27
efficient
cooling
when
special difficulties require mention.
1.4.
TABLE
Type of
specimen
Room
Specimen
If the
suitable for:
is
Debye-Scherrer
cameras
1.
powder specimen
temperature
must be smaller than 45 fi. If it

grain size must be 10 p.. Collection and separation of particles of
specified dimensions can be effected by the following methods
stationary, the
is
rotated, the particle size of the grain
maximum
Sieving: standard sieves are obtainable to 400
20-90
Diffractometer
1.4.1 {continued
ft,
and
it is
possible to
make them with
by gravity
mesh=34|u.
Special sieves have meshes of
n mesh diameter
[1].
2.
Sedimentation:
for 0-05-5 /*.
3.
Elutriation: [2] [6] with liquid or air; suited for the range 5-50/*.
[2]
[6],
The powder specimen must
in liquid for diameters 0-5-50
fi;
by centrifuging
in liquid
consist of particles smaller than 5 n [3] for separation see under

Debye-Scherrer cameras. It is used in a recessed metal or plastic holder. Special precautions are
needed to make the surface smooth and flat, with its plane including the spectrometer axis. If
required, binders of the usual type, for example collodion, paraffin wax or silicone grease, are
applicable. If orientation risks have to be avoided, mix crushed glass or other amorphous medium
with the powder. Or: coat plane surface with thin film of adhesive which dries at moderate rate,
and then dust a layer of powder on the adhesive after it has become tacky. (For an elaborate
special technique see [4]).
For some purposes the recessed holder is simply filled with the powder and the surface covered
with a thin plastic film.
Metals Etched flat surface.
Ceramics Sintered block with surface abraded if necessary.
;
Parafocusing
cameras
Specimen preparation as with diffractometer.

It must be borne in mind that orientation effects work out oppositely in the case of transmission
(Guinier- and de Wolff-type cameras) and of reflection (Seemann-Bohlin camera).
By covering the recess with a plane glass slide, holding the assembly vertically, and filling through
the top opening without compaction, orientation risks tend to be minimized.
28
1.4.
ilycrystalline-specimen
Mounting
Low
High temperature
The general
factors outlined
above
in
temperature
connection with photographic techniques are equally applicable to high-
and low-temperature work.
29
1.4.
TABLE
Small single crystals are usually fixed to a glass or vitreous
silica fibre
with a suitable adhesive. The fibre
Temperature range
Adhesive
Notes on use
(C)
Durofix, Duco cement, etc. (celluloid

composition dissolved in organic solvent, commercially available under
several names).
-180
Shellac dissolved in alcohol
<150
to
+100
l.<
is tl
Should be used
fresh,
quickly and not
set.
or
may
Correct amount of solvent
is
dry
to(
rather
critical.
Fish glue
(e.g.
Seccotine)
-180
Dental cement
Vacuum
grease
<150
(e.g.
Apiezon)
Less
to
critical
than shellac.
+300
<200
Silicone high- vacuum grease
<100
Aluminium
<600
Alumina cement
<1700
Canada balsam
<65
Mixture of wax and resin
-180
Large crystals
aluminium.
may
Dilute with xylene.
to
+30
(about 1:1)
30
Melt together.
be
set in
molten
1.4.
gle-crystal
Mounting
unted in the apparatus with plasticine, wax,
etc.
Large single crystals can be mounted directly in the camera.
Diffraction pattern
(spacings in
Diffuse
band
Dries rapidly before crystal
4-0- 5-5
at
Remarks
A)
Tends to
Diffuse bands at
10-0 (vw)
4-2- 5-0 (vw)
4-1
Lines at:
Diffuse bands at
(m) 3-7 (vw)
3-5- 5-0
(s)
Very
band
affected
by
solvent.
suitable for small crystals, except in
Tends
to pull in setting.
Unsuitable for humid atmospheres.

Unaffected by organic solvents.
Less suitable than shellac for very small crystals.
Tends to pull in
setting.
Adheres well to
glass or asbestos but not to metals.
when
crystal
must be protected from moisture.
at: 7-5 (w)
Irradiate only protruding part of crystal.
Irradiate only protruding part of crystal.
Heavy
Diffuse
scattering at a not very low angle

5-8 (s)
band
at:
5-2- 6-4
(ms)
4-13 (vs)
3-70 (s)
humid
atmospheres.
Useful
Diffuse
is
pull in setting.
Useful
if
crystal
must be ground
after fixing.
Useful if crystal must be ground after

Does not pull in setting.
3-33 (vw)
2-97 (w)
2-47 (mw)
2-34 (vw)
2-22 (mw)
2-06 (w)
31
fixing.
1.4.
TABLE
1.
some biological specimens

specimens and for protecting powders or single crystals from
Liquids, crystals included in mother liquor, and
Material
Temperature range
(capillary tubes)
(C)
<500
Glass
Lindemann
Vitreous
Diameter
003 -005cm
Wall:
0-002-0-005
<50
Wall:
0003-0005 cm
<100
Wall:
0-001-0-003
Polyethylene
<100
Formvar)
Cellulose acetate
Material (for containers other than
cm
cm
0-002-0-005
-180
(e.g.
0-002-0-005
0-03 -0-05
Collodion
Polyvinyl methylal resin
0-03 -0-04
Wall:
Diameter
<1100
silica
cm
cm
Diameter
Wall:
<500
glass
Size
to
+70
Temperature range
Size
capillary tubes)
Gelatine capsules
Methyl methacrylate
cm
resin (e.g. Perspex)
cm
Mica
Wall:
< 003
Regenerated cellulose film

(e.g. Cellophane)
Wall:
0003 cm
32
cm
1.4.
ontainers
powder
)nveniently examined in thin-walled containers. These are also useful for
:mosphere or
(in
low-temperature work) from a
jet
of liquid
air.
Diffraction pattern
(spacings in
Remarks
A)
Several diffuse ba nds, depending on type of glass
Lindemann glass scatters less, but other glasses are often

more suitable, since they can be obtained as thinnerwalled tubes and are better resistant against atmospheric
influences.
Diffuse bands at:
3-77
(s)
2-08 (ms)
1-21 (w)
1-12 (w)
Diffuse
band
at:
Diffuse bands at:
Lines at:
And many
Diffuse
4-4-5-8
4-45
(s)
Made by
2-09
(mw)
dion
at:
in
coating a copper wire with a solution of collo-
ether
may
1-15 (vw)
wire
4-13 (vs)
3-73 (s)
made
2-97 (vw)
2-26 (w)
glass tube
other very
band
(s)
weak
and
ethyl alcohol.
(spacings in
Made
as for collodion tubes
amyl
Diffuse bands at:
from a solution of
cellulose
acetate.
Remarks
A)
Vessels with thin (20
2-60
be
Made as for collodion tubes from a solution of polyvinyl

methylal resin in chloroform or dioxane.
Diffraction pattern
A
A
easily
lines.
acetate in
3-34
may
for this.
Tubes may be drawn from molten polyethylene using a

and a slow stream of air.
6-3-3-7 (vw)
10-00
dry, the copper
Gives a diffraction pattern, but allowance
Continuous blackening upward from 3-20
Lines at:
When
be removed by stretching.
Mica windows
4-3-4-5 (w)
4-0-4-2 (w)
3-0-3-2 (vw)
33
/x)
windows may be made.
useful in vessels for small-angle scattering.
1.4.
TABLE
1.4.4
Some Common Contaminants and
their
Three
Strongest Diffraction Lines
Substance
Spacing (A)
NaCl
2-82
1-99
1-63
low temperature)
Na 2 CO 3 .10H 2 O
3-67
2-07
3-44
2-89
5-30
4-03
Calcite
3-04
2-29
2-10
Sodium sulphate
2-78
4-66
3-18
Quartz
3-34
4-26
1-82
4-13
3-73
3-48
Ice (at
Paraffin
wax
1.4.
[1]
[2]
Anon. "Better
filtering with plastic screens," Industr.

Engng. Chem., 51, No. 3, 32A, 1959.
Cadle, R. D.
science,
[3]
References
Klug, H.
[4]
[5]
J.
Amer. Ceram. Soc. 32, 141,
S.,
Rooksby, H.
[6]
Weissberger, A.
Vol.
York, 1954).
I,
parts
1959, 1960).
34
P.,
and Wilson, A.
J.
C.
Diffraction by Polycrystalline Materials.
(Institute of Physics,
and Alexander, L. E. X-Ray Diffraction Procedures for Polycrystalline and Amorphous

P.,
New
Peiser, H.
X-Ray
York, 1955).
Materials (Wiley,
L.
1949.
Particle Size Determination (Inter-
New
McCreery, G.
London,
1955).
Technique of Organic Chemistry,

I
and
II (Interscience,
New
York,
1.5.
Crystal Setting by X-rays*

1.5.3. Setting
1.5.1. Introduction
The problem of
crystal setting
by X-rays can be
reciprocal lattice plane to be photographed has

to be brought perpendicular to the precession axis of
the camera. It is desirable that an important reciprocal
The
lattice direction
(normally an axis) should be parallel
to the horizontal spindle carrying the arcs.

1.5.3.2. Methods of Setting using only the
Precession Camera
These have been described by Buerger [2] and in
greater detail with some modifications, including the
use of Laue and cone axis photographs and charts
or graphs for computing the corrections, by Evans,
Tilden and Adams [6], Barnes, Przybylska and Shore
also
[1], Smith [19], Fisher [7][8], and King [14]. See
purposes or for finding grain orientation are not

considered.
about a Rotation Axis
1.5.2.1. To bring a Selected Reciprocal-lattice

Net Plane Perpendicular to a Rotation Axis
An
Statement of the Problem
1.5.3.1.
defined as that of bringing a selected reciprocallattice net plane perpendicular to a given direction.
In most cases the given direction is a rotation axis.
Setting on a precession camera will be considered
separately. Even in the latter case, preliminary setting
about a rotation axis is often desirable. Specialized
methods of orienting large crystals for cutting
1.5.2. Setting
on the Precession Camera
analysis of this setting problem, together with

methods of calculating
descriptions of or references to
Vol.
Section 4.5.
II,
the arc corrections required, has been given by Jeffery

[11][12].
Use of Preliminary Setting on a Rotation
1.5.3.3.
Modifications of the method described by Bunn [3]

and Weiss and Cole [20] which utilize the translation
possibilities of a Weissenberg film holder have been
Camera
If
a reciprocal
given by Winchell [21], Jerslev [13], and Dragsdorf [5],

but in general it is better to make preliminary X-ray
investigations, including setting, on a rotation camera
and then transfer the arcs, accurately set, to a Weissencomplicated method, involving three
berg camera.
rotation photographs for finding the arc corrections in
the most general case, has been given by Roof [18],
but this problem can be more easily and accurately
solved by oscillation photographs [11][12].
modification of the method given by Weiss and
Cole [20] has been described by Davies [4]. This
correctly, but
possible
which to apply the correction is immefrom an inspection of the film.
diately obvious
setting utilizing non-equatorial reflec-
where zero-layer reflections cannot be identified

has been given by Mackay [17].
A crystal support by means of which three orthogonal directions can in turn be brought along the
rotation axis, without remounting the crystal, has been
described by Mackay [16], Love and Sayre [15] and
tions
an angle
1.5.2.2.
Angle
adjusted approximately
much more complicated
the crystal
as possible to the required reciprocal axis)
is
along the rotation axis, and the arc corrections to

bring the reciprocal axis into position are either calculated by the general method given in [11] [12] or
measured using the graphical method described by
Fisher [7].
To
set a Selected Direction in the EquaReciprocal-lattice Plane at a Given

to the X-ray Beam (Azimuthal Orienta-
1.5.4. Crystal
tion)
Beams
Methods for achieving azimuthal setting to an

accuracy of 0-05 have been given by Jeffery [11].
Cradle)
is
even these are
set
Grenville-Wells [10].
torial
when
than the methods given in 1.5.2.1. It is therefore

usually desirable to use a rotation camera to set a
reciprocal axis along the rotation axis before transferring the arcs to the precession camera. By using the
methods of 1.5.2.2 it should be possible to set the arcs
so that the "dial axis" correction is at most a few
degrees and then evaluate this correction from a single
precession photograph.
If the reciprocal lattice axis is parallel to a crystal
axis the methods of 1.5.2.1 (paras. 1-3) can be used. If
not, a prominent crystal-lattice row line (at as small
modification considerably simplifies the method, since

(a) each arc correction is calculated independently
from a single measurement on the film, and (b) the
method of
row
methods for adjustment of a completely unoriented

crystal are rather complicated. Simpler methods are
other important
arcs (the "dial axis"). This can be done comparatively

simply, even without graphical aids, whereas the
direction in
lattice axis (or
adjusted parallel to the rotation axis of the

arcs the only correction to be made during final setting
on the precession camera is on the spindle carrying the
line) is first
See
Weissenberg and precession camera settings are described in Vol.
35
II,
Setting
for
Incident
and Diffracted
to be always in a Given Plane (Use of Eulerian
[9]
and Vol.
Section 4.
II,
Section 4.3.2.2.
1.5.
[1]
[2]
[3]
[4]
[5]
[6]
References
Barnes, W. H., Przybylska, M., and Shore, V. C.

Amer. Min., 36, 429, 1951.
Buerger, M. J. The Photography of the Reciprocal
Lattice. ASXRED Monograph No. 1, 1944.
Bunn, C. W. Chemical Crystallography, 2nd ed.,
pp. 186-8. (Clarendon Press, Oxford, 1961).
Davies, P. T. /. Sci. Instr., 27, 338, 1950.
Dragsdorf, R. D. Acta Cryst., 6, 220, 1953.
Evans, H. T., Jr., Tilden, S. G., and Adams, D. P.
[8]
Rev. Sci. Instr., 20, 155, 1949.

Fisher, D. J. Amer. Min., 36, 123, 1951; 37, 1007,
1036, 1952; 38, 399, 1953.
Idem. Acta Cryst., 8, 594, 1955.
[9]
Furnas, T. C, and Harker, D. Rev.
[7]
[10]
Grenville-Wells, H.
[11] Jeffery, J.
[12] Idem.
W.
J.
Acta
Ibid., 2, 15, 1949.
J. Sci. Instr., 26, 42,
[13] Jerslev, B.
Acta
[14]
King, M. V.
[15]
Love, W.
Cryst., 8, 519, 1955.
1949.
Cryst., 4, 472, 1951.
Ibid., 8, 53, 1955.
E.,
and Sayre, D.
Rev. Sci.
Instr.,
25,
830, 1954.
Sci. Instr., 26,
[16]
Mackay, A.
[17]
Idem. Acta Cryst.,
[18]
Roof, R.
B., Jr.
[19]
Smith,
V.
J.
449, 1955; also Single-Crystal Orientor Instruction

Manual, prepared by T. C. Furnas with the cooperation of the X-ray Department, G.E.C.
[20] Weiss, O.,
(G.E.C., Milwaukee, Wisconsin, 1957).
[21]
L., /. Sci. Instr., 29, 164, 1952.

5, 691, 1952.
Ibid., 8, 434, 1955.
Ibid., 5, 723, 1952.
and Cole, W.
F.
/. Sci. Instr., 25, 213,
1948.
36
Winchell, H. Acta
Cryst., 3, 396, 1950.
Section 2
X-RAYS AND THEIR INTERACTION
WITH CRYSTALS
page
2.1.
Constants and Units. Elements and their Properties (J. W. M. DuMond,

E. R. Cohen and A. G. McNish; J. H. Palm; K. Lonsdale and G. D. Rieck)
.
2.2.
39
Tables relating to the Production, Wavelengths and Intensities of X-rays

(G. D. Rieck)
59
2.3.
Filter and Crystal
2.4.
Tables relating to Scattering Angles
2.5.
Standard Crystals for Calibration
2.6.
Thermal Expansion
in
(E. L.
(B.
W. Roberts; W. Parrish)
Eichhorn and G. D. Rieck)
(G. D. Rieck
and K. Lonsdale)
Relation to Structure (K. Lonsdale)
73
89
122
125
2.1.
2.1.1. Introduction to
Constants and Units. Elements and their Properties

in 1954 decided "to define the thermodynamic scale of
temperature by means of the triple point of water as
fixed fundamental point, by assigning to it the tem-
Table 2.1.1
The following table of values of universal physical

constants was computed using adjusted values of the
fine-structure constant a, the electronic charge e, the
Avogadro number N, and the conversion factor
A=\ /\ s (from Siegbahn X-ray wavelength scale to the
different
c.g.s.
system).
by a new least-squares adjustment of eleven measured

input data, functions of these four unknowns combined with seven auxiliary constants whose values are
known so much more accurately than the preceding

that they can be treated as exact.
This least-squares adjustment, a collaboration by
J. W. M. DuMond and A. G. McNish,
was completed 12th September 1961. It comprised all
pertinent input data available to those authors up to
that date save for one datum [1] which they rejected
E. R. Cohen,
at the time of evaluation (1961) constituted

essentially all the significant information then available.
which
under suspicion of systematic error because of its

inconsistency with the consensus of the adjustment.*
The unified scale of atomic weights, recommended
for general adoption by the International Unions of
Pure and Applied Physics (IUPAP) and of Pure and
Applied Chemistry (IUPAC) at Ottawa, September
12
C is
1960, on which the atomic weight of the nuclide
taken as exactly 12, is used in this table. The following
conversion ratios between this scale and (a) the so16
called Physical Scale ( 0=16) and (b) the so-called
Chemical Scale (0=16) may be used [2]:
At. wt. on (0=16) scale/ At. wt.

= 1-000 043
on
12
(
C=12)
No
allowance or "factor of safety" was introduced for

systematic errors" in the data beyond that
which the criterion of external consistency itself
affords, since beyond this point one man's guess is as
"unknown
good
as another's.
12
C=12)
The user
is
therefore at liberty to
multiply these error measures by any safety factor

greater than unity he chooses.
Of necessity the output values of any least-squares
adjustment are in general statistically correlated
stochastic quantities. When such quantities are combined in formulae to compute functions of two or
scale
more of them,
applicable
scale of temperature
values were obtained
At. wt. on ( 16 0=16) scale/At. wt. on

= 1-000 317 9170-000 000 017
thermodynamic
The four adjusted
K exactly."
This yields a new, slightly

such
instead
that the best value of the ice point is 273-15
as formerly.
of 273-160-01
The error estimate attached to each of the numerical
values in Table 2.1.1 is not to be understood as a
"limit of error" for some specified confidence ratio.
These quantities, on the contrary, are "standard
deviations" in the statistical sense (i.e. root-meansquare error measures). They are purely formal results
calculated by standard methods of error statistics
based on the external consistency of the overdetermined
experimental data from which they were derived, data
perature 273-16
scale
to
the familar rules of error propagation

independent stochastic
statistically
no longer give correctly the error of the

function; the generalized formula of error propagation, taking into account the off-diagonal terms of the
variables
The numerical value of R the gas constant per mole,

changed from the value used in earlier evaluations of
the constants by reason of a change in the definition
,
variance-covariance matrix must be used. Such terms

may be either positive or negative. Failure to include
them may result in either too large or too small an
is
of the Kelvin scale of temperature made at the Tenth

General Conference on Weights and Measures which
estimate of the propagated error. |
*
letter from J. W. M. DuMond dates 23rd November 1961 indicates that it may eventually be necessary to reject one other
input datum. If this is done, further adjustments to Table 2.1.1 will be required (see p. 40).
t Use of the generalized formula of error propagation for the case of statistically correlated variables has been explained in many
publications. See for example J. W. M. DuMond, IRE Trans, on Instrumentation 1 7, p. 167, or Cohen, Crowe and DuMond,
Fundamental Constants ofPhysics, Chap. 7 (Interscience, New York, 1957). The variance-covariance matrix for the 1961 adjustment
which yielded the values in Table 2.1.1 will be published elsewhere along with a complete disclosure of the sources of data and
methods of adjustment.
39
CONSTANTS AND UNITS. ELEMENTS AND THEIR PROPERTIES
2.1.
TABLE
List of
2.1.1
some Universal Physical Constants
Least-squares-adjusted values corrected to 1961 by E. R. Cohen,
Avogadro number (unified

Loschmidt number
Conversion factor from kX
Boltzmann constant
12
C=12
= =A7K
53 0-000 06) x lO" 16 erg deg."

/*=(6-625 540-000 15) x 10" 27 erg sec.
m= (9-109 040-000
13)xl0" 28 g
e=(4-802 960-000 06)xl0- 10 esu
r =e 2 /mc 2 =(2-817 760-000 04)x 10~ 13
c= 299,792-5 0-2 km sec" 1
Velocity of light
Electron volt.
Wavelength associated with
Compton wavelength of the
electron
eV
Bohr magneton
fM
=hej47rmc
=
Magnetic moment of the electron

Nuclear magneton
= (0-505 048 0-000 011)x 10" 23 erg gauss

=l/A =(l-660 420-000 03) x 10~ 24 g
m
m p =MJN=(l-672 503 0-000 025) x 10- 24
m n =n/7V= (1-674 809 0-000 025) x 10~ 24 g
r
Bohr radius, i.e. radius of the first Bohr

hydrogen
Universal Rydberg constant
ao
(0-927 3140-000 021) x 10--20
erg gauss"
(0-928 3890-000 021) x 10" 20 erg gauss" 1
--hejAnnipC
Mass of atom of unit atomic weight

Proton rest mass
Neutron rest mass
Atomic mass of neutron (unified 12 C=12
.
cm
eV=(\-602 0950-000 022) x 10~ 12 erg

A 9 =(12;398-040-12)xl0- 8 eVcm
A ce =A/mc=(24-262 060-000 22)xl0- u cm
Classical electron radius
n= 1-008 665 40-000 000 4
scale)
(mole)" 1
orbit in
used in calculating densities.

See Introduction to Table 2.1.4 for value of
and 2.1.2.3, and note on p. 39. The adjustment referred to, if required, would
t See 2.1.1
typical
cm-
k=R /N= (1 -380
=(2-687 020-000 08)xl0
1*
19
A = X g /X = 1-002 0630-000 006|
Planck constant
Electron rest mass
Electronic charge
W. M. DuMond and A. G. McNish
N= (6-022 57 0-000 09) x 10 23 (g mole)-
scale)
Z,
to
J.
N would be increased by 61
make
the following changes, which are
23
parts per million to (6022 940000 38) x 10
would be reduced by 20 parts per million to 1-002 043 0-000 020
27
h would be reduced by 103 parts per million to (6-624 860O0O 68) x 10"
10
e would be reduced by 62 parts per million to (4-802 660000 30) x 10-
40
2.1.

an atom, radiating under conditions of perfect freedom
from perturbing influences, the observer being at rest
relative to the radiating atom [22]. The requirement
of a symmetrical line profile free of any fine structure
would preclude the use of anything but pure isotopes
of even atomic number and even mass number.
Agreement has been reached [3] [17], and as from
14th October 1960 the General Conference on Weights
and Measures has formally adopted the recommendation that the metre be defined as exactly 1,650,763-73
wavelengths in vacuum of the radiation corresponding to
the transition 2p l0-5d5 in krypton of mass number 86
X-ray Wavelength and Crystal-spacing Units of

Measurement in Relation to the Standard Metre
2.1.2.
2.1.2.1.
The Standard Metre, the A, and the
Units
denned as the
marks on a certain
0 C. The Angstrom unit (A)
The standard metre was

between
distance
initially
two given
platinum-iridiiim bar at
10
metres, so defined.
v/as 10~
one bar was obviously

substandards had to be used, and it soon
became apparent that a standard in terms of an
optical wavelength unit would be more conveniently
and accurately reproducible for purposes of spectroscopic measurements.
In 1907, therefore, the International Solar Union
[20] agreed on a new unit of length, in terms of which
the wavelength of the cadmium red line in dry air at
760 mm Hg pressure (g= 980-67 c.g.s. units) and 15C
Since, however, access to this
restricted,
(Science, 132, 1384, 1960).
The Angstrom Unit (A)
henceforth be 10" 10
It may be noted that from the wave-number figure

given above and an adopted dispersion formula for
standard air one obtains (to five places of decimals) the
following wavelengths for the proposed primary
standard
was 6438-4696. This unit, originally called the InterAngstrom Unit (I. A.), later became known
either as the Angstrom (A) or the angstrom (A), both
these names being used in a rather arbitrary fashion by
different Unions, editors and authors. Moreover, the
differentiation between this wavelength unit and the
-10
metres) was frequently
original Angstrom Unit (10
ignored. The International Solar Union had not,
however, intended their new and independent unit of
length to replace the metre bar for purposes other than
wavelength measurements. Hence it came about that
there were, in effect, two Angstrom units, which,
although equivalent to at least seven significant
figures, were not in fact the same; nor was there any
absolute relationship between them.
6057-802 1 1
6056-125 25
A vacuum
A standard air
Since, however, the definition refers to the radiation
from an atom unperturbed by external influences (and

not to a specified light-source), the practical problem
remains of determining the wavelength shift that will
occur in an actual light-source. The Advisory Committee expects to issue a statement in due course on
this matter.
The X.U.
2.1.2.2.
measurements of X-ray wavelengths were

based on crystal diffraction and used the fact that it is
possible to calculate the distance between successive
lattice planes, or between successive planes of atoms
in a crystal from the known structure, density p, atomic
weights, and Avogadro number N. Thus for rock
2
salt the formula a p = MjN gave </(200) = 2-814 A with
The
In order to prevent the indiscriminate use of A and

A in spectroscopic papers, the Joint Commission for
Spectroscopy (J.C.S.) adopted the following resolution
in July 1954: "Since the I.U.P.A.P., the I.U.P.A.C.
and the Bureau International des Poids et Mesures
have adopted A as the symbol for the Angstrom unit,

and because this symbol has the great advantage over
A of being absolutely unique and characteristic, the
J.C.S. recommends the universal use of the symbol A
tions."
will
metres, so defined.
national
for the
first
a possible error of
(Any possible
and the metre
in the last figure.
distinction between the wavelength
standards was here, of course, quite negligible.)

Substitution in the Bragg formula, A=2<a sin 6, gave
a number of X-ray wavelengths from carefully measured values of 0(200).
Angstrom unit in all spectroscopic publicaThis was reaffirmed at Columbus, Ohio, 11th
June 1956.
This decision superseded an attempt by the International Astronomical Union [21] to regularize the use
of the term "angstrom" (A), which might have
emphasized the distinction between the 1907 spectro-
It
soon came to be
(1) that
realized,
however
the values of sin 6 could be measured with far
more accuracy (five or six significant figures) than

the value of d was known (four significant figures).
Thus relative values of A were known with greater
-10
metres.
scopic unit and the original unit of 10
In 1952 the International Committee on Weights

and Measures appointed an Advisory Committee on
Redefining the Metre. The intention now was quite
clear. It was to redefine the metre in terms of a wavelength unit which should differ from the unit defined
in 1907 principally by replacing (a) the specified standard air by vacuum and (b) a specified light-source by
accuracy than absolute values

(2) that Bragg's equation did not allow for refraction
effects, so that its application, using d measured for
X-ray spectral orders, gave different values

of A. This could be allowed for either (a) by using
a correction term in the Bragg equation or (b) by
different
41
2.1.
using the simple equation but supposing the effective spacing dn to change with the order: thus
nX =2dn sin d n where A is the wavelength in vacuo.
measurements of X-ray wavelengths by the two

methods.
In 1941 Bearden and subsequently Birge [5] published an estimate of A (A /A s =ruled-grating X-ray
wavelength / crystal-spectrometer X-ray wavelength)
based on the estimated accuracy of several separate
determinations of X-ray wavelengths made both by
the ruled-grating and by the crystal-diffraction
methods.
Their estimate was 1000 X.U. = 1 kX=
l-002 0300-000 020A.
Subsequent discussion, which gave rather more
weight to a lower figure published by Tyren (be. cit.),
led to the adoption in 1947, by international agree-
(3) It
was also recognized that rock
salt
had not been
ff
the best choice of standard crystal. Calcite was

likely to be much more free from impurity, strain,
or other distorting factors [8]. Later measurements fully confirmed the superiority of calcite
over rock salt [12].
M. Siegbahn and his colleagues undertook a series

of very accurate measurements of diffraction angle for
both rock salt and calcite and concluded that, on the
basis of an effective a?(200)=2-814 00 for rock salt at
18 C, the effective d(2\ 1) for calcite at 18 C would be
3-029 04. Corrected for refraction, this would imply a
true calcite cleavage spacing of 3-029 45 [19]. It was
fully realized, however, that, in giving this value, no
absolute accuracy to six significant figures was implied
(a) because the original calculation of </(200)=2-814
for NaCl was derived from the volume, density and
mass content of the unit cell and was therefore a true
and not an effective spacing and (b) a similar calculation of calcite relating the known structure, density
and mass content of the unit cell gave 3-0283 A for the
true 211 (cleavage) calcite spacing, and not 3-029 45.
Siegbahn therefore drew attention to the uncertainty of the absolute values of his measured wavelengths and of crystal spacings that might subsequently
be deduced from them by expressing them not in
but in so-called X-units (X.U.).
The problem remained of determining the conversion
factor A that would enable X.U. to be expressed as
ment among
kX= 1-002 02 0-000 03 A

DuMond and Cohen [13] published
1
In 1953
leastsquares adjusted estimates of a number of fundamental constants, among them the conversion factor,
to which they gave the much higher value
A=XJX
is
2.1.2.3.
Conversion Factor
necessity for correction of Tyren's grating wavelength
values to allow for the "Lamb shift" [9] [10]. Tentative

correction for this error (the exact correction could
only be ascertained by a remeasurement of Tyren's
not yet undertaken, or by a new measurement)

new weighted average of Tyren's, Backlin's
and Bearden's measurements
plates,
yields a
A.
^1=1-002 045
The possible error in this figure may, however, be

judged by a private communication from J. W. M.
DuMond (21st January 1957), who then stated: "At
present it is impossible to say whether the fifth decimal
place in A 3 /Ag is 5, 4, 3 or 2; and there is even a small
chance that it could lie outside of these choices. A new
and direct measurement is badly needed." DuMond's
"best guess" in January 1959 [11] was 1 kX= 1-002 037
0-000 020 A. This value has now been superseded by
the least-squares-adjusted value given by Cohen, DuMond and McNish on 12th September 1961 (see
Introduction 2.1.1 and Table 2.1.1).
(=A 9 /AS)
In 1928 E. Backlin (Thesis, Uppsala)
revised to
One factor that was left out of consideration when

the conversion factor was internationally discussed in
1946-47 (because it was not then known) was the
Since the X.U.
kX to
[7]
yl=l-002 0390-000 014
rather small, a unit 1000 times larger, the kX, which

comparable with the A, is now generally used, A
being the conversion factor from
(standard deviation)
which, however, was subsequently
is
= 1-002 063 0-000 034
accurately as possible in centimetres.
crystallographers, of the figure
measured the
wavelengths of certain soft X-ray lines very precisely

with artificially ruled gratings which had been calibrated with optically known wavelengths. This would
give the X-ray wavelengths in optical wavelength units,
that is, in A. The same X-ray wavelengths were also
known in kX by the method of crystal diffraction.
These and subsequent more refined measurements
[4] showed that there was a discrepancy of as much as
1 part in 500 between the two units. This discrepancy
was traced to an inaccuracy of this order in the value
(N- 6-060 x 10 23) used for the Avogadro number in the

early calculations of crystal spacing, and this in turn
was found to be due to Millikan's use of an inaccurate
measurement of the viscosity of air in the oil-drop
2.1.2.4.
kX= 1-002 0630-000 007 A
Spectral Distribution in Relation to

Wavelength and Precision Spacing
X-ray
Measurements
It was stated above
experiment by which he determined the electronic

charge e. A more precise measurement of this visin better
cosity yielded a value of e and hence of
in the
consistency
give
agreement with that required to
that in redefining the metre in
terms of an optical wavelength unit
42
it
was necessary
2.1.
to select a line having a symmetrical profile. This

requirement is not usually fulfilled in measurements of
X-ray spectra from standard crystals or in diffraction
maxima
intended to give precise measurements of
accurately to five or six significant figures, and many

crystal spacings were therefore given in the literature
to that degree of precision. In that case, even when
the refraction correction had been properly applied,
they were known precisely only in X.U. and if
;
spacing.
Volume
were used in such papers, that unit was wrongly so used

and should be read as kX in all such cases, and of
course in reference books that quote such results
without correction. A check on the correctness of the
units employed can be made for any published work
where the wavelength of the incident beam used is
Section 4.7, W. Parrish and A. J. C.

Wilson point out that in experimental work of the
highest precision, peak measurements of diffraction
In
II,
maxima should be combined with peak measurements

of wavelength to give spacings, or centre-of-gravity
measurements with centre-of-gravity measurements,
and so on. Whatever method of location of exact
intensity maximum is used, it should be the same in
given.
Period February 1943-1947
each case.
(b)
At present there seems to be no universal agreement

on the correct method of locating the line position for
In February 1943 Lipson and Riley [14] drew the

attention of crystallographers to the need for the use
of the conversion factor A if crystal spacings were to
a line of asymmetrical contour, whether by a centreof-gravity measurement or by some other kind of

weighted mean. Moreover, information concerning
the methods used in the past is not always available in
the literature. The centre of gravity and the peak
positions are usually differently modified by the geometrical aberrations, and the centre of blackening of
a close doublet on film may vary very slightly, accord-
be given in
ing to the intensity of the reflection.

It is clear that future precision measurements of
X-ray wavelengths, which may modify the values
ments (except those of the highest precision, which

relatively to the wavelength, better
than the conversion factor could be known), "absolute"
values of both wavelengths and spacings should be given,
in general, in publications.
located.
procedure,
Period preceding February 1943
In the years preceding February 1943, accurate

wavelengths were usually expressed in X.U. but
crystal spacings in A. If the latter had been deduced
from the known
structure,
density
W.
L. Bragg
In order to facilitate this

published a list of the
[6]
most useful X-ray wavelengths in so-called Angstrom

units, recommending at the same time that in any
published work the values of the wavelengths used
should be explicitly stated. This list was not one of
grating-measured X-ray wavelengths (since these were
2.1.2.5. Historical Outline of Crystallographic

Practice in the Use of Units
(a)
using spectrometer-measured X-ray
would be known,
hitherto accepted if the above factors are taken into

account, should state very precisely how the intensity
maxima have been
wavelengths, which would necessarily be in kX. Some

crystallographers then used the factor A= 1-002 03 in
order to correct their data for publication. At a 1946
International Conference of crystallographers held in
London it was agreed that, for the purposes of crystal
structure analysis and other crystal spacing measure-
relatively less accurately known), but of the best X-ray

wavelength values determined in X.U. by crystal
spectrometry and multiplied by the 1947 agreed factor
A= 1-002 02 x 10~ 3 Bragg's list was, however, limited
to a few wavelengths.
and absolute
atomic weights it was reasonable to express them in

A, but their accuracy in A was dependent not only on
the accuracy of measurement of density, etc., but also
and particularly on the accuracy with which the value
of
was then known.
If the crystal spacings were deduced from the wavelength (given in X.U.) and from diffraction angles
observed by reflection from planes parallel or nearly
parallel to a boundary surface, they needed correction
Units adopted for the International Tables for X-ray

Crystallography, Volume III
(c)
for refraction to
make them
into true spacings
In considering what X-ray wavelength values should

be used as a basis for tables required to be included in
Volume III of the International Tables for X-ray
Crystallography, the Editors had to bear in mind the
fact that it would not be possible to give a complete
list of all the lines of X-ray spectra (emission or
absorption) but that more wavelengths would probably be required in the future than those included in
and
even then ought properly to have been expressed in

X.U. or kX. (The refraction correction may be
small for reflection by transmission
through a thin crystal plate.) Provided that the
accuracy claimed, however, was no more than 1 in 500,
the refraction correction could be ignored and the
units could be taken as A within that limit of experimental error.
The values of sin 6 could, however, be measured
vanishingly
W.
L. Bragg's
list.
They
therefore decided, after inter-
national consultation with many physicists and

crystallographers, to recommend the use, in general, of
Cauchois and Hulubei's Tables de Constantes et
Donnees Numeriques. Longueurs d'Onde des Emissions
X
43
et des Discontinuites d' Absorption
X, which does
2.1.
most complete lists so far published, arranged

both in order of wavelength and in order of the
atomic number of the emitter or absorber of X-rays,
of the values in X.U. of the K, L and M, etc., spectral
lines.
(There are, however, a few long wavelengths
given in A in those lists, because they were measured
by the grating method.)
give the
In 1950 a statement [15]
measurements based on X-ray wavelengths

determined by the grating spectrograph method
are properly expressed in A to the degree of
accuracy with which the measurements can be
(2) that
made;
any attempt to return to kX or X.U. as a
matter of general practice would probably result in
confusion worse confounded.
(3) that
was published, that the
Cauchois-Hulubei wavelength values, multiplied where

necessary by 1-002 02 x 10~ 3 were to be used in the
preparation of all tables for inclusion in Volume III,
and a table of selected wavelengths ((value in X.U.)x
1-002 02. 10" 3 ) from the Cauchois-Hulubei list, which
could be used by intending contributors.
This intention has necessarily been adhered to, in
spite of the later developments in the knowledge of
the conversion factor, and the publication of new
wavelength tables [18].
,
(d) Decisions taken at the
Recommendations made at the Paris Congress, 1954

At the Third General Assembly of the International
Union of Crystallography held in Paris in 1954 the
following recommendations (slightly reworded here),
(e)
which
1.
Stockholm Congress, 1951
In 1951, at the Stockholm Congress of the International Union of Crystallography, a discussion took
place as to whether the "absolute" wavelength and
crystal-spacing values should be expressed in terms of
or A. This discussion centred mainly on such
questions as ease of printing versus the desire of all

present to do honour to an eminent Swedish physicist,
2.
still
That
0-01
and it was finally decided to use A, and not A. It is

not always realized, however, that the value of an
X-ray wavelength or of a crystal spacing, originally
expressed correctly in kX, will not be given in true
Angstrom units even after multiplication by an agreed
conversion factor, but is in fact in a new conventional
unit which is equivalent to A only within the degree of
accuracy of the conversion factor itself
hold good, were made.
That while X.U. may still rightly be used for

crystal-measured X-ray wavelengths and A for
measurements of X-ray wavelengths made by the
grating spectrograph, all workers using crystalmeasured X-ray wavelengths for crystal spacing
measurements should be aware that a difference of
some 0-2% does exist between the two units kX
and A, and that beyond this limit of accuracy it is
important to make a correct and deliberate choice
of unit and to make that choice clear in any
published work.
if
the limits of accuracy

it
is
lie
between 0-2
% and
legitimate to use the tables given or
recommended in this Volume of the International

Tables of X-ray Crystallography or any similar
tables of wavelengths or of spacing, and to express
results in terms of A (limits of accuracy being
stated), provided that the wavelengths and conversion factor used are made clear, or a clear
reference is given to the appropriate tables which
have been consulted.
Some crystallographers have regretted that any

change from the practice of expressing crystalmeasured wavelengths, and spacings derived from
these, in kX or X.U. was ever made. It must be
admitted, however,
3.
That
if precision greater than 0-01

is claimed or
required it is essential to use the best agreed values
both of wavelengths and of the conversion factor
available at the time of publication of the work,
and that these should be
explicitly stated,
with
references, in all such published work.
and even after the publication of the

note by Lipson and Riley [14] many crystallographers did not express their data in kX or X.U.
when they should have done so (they called them
A, but without using a conversion factor) and that
these errors have been perpetuated in some entries
in reference books (including Structure Reports and
Wyckoff's Crystal Structures) and in some textbooks giving collected data. Those crystallo-
(1) that prior to
2.1.2.6.
Possible
Future Developments
It has been suggested [16] [11] that the X-unit

should in future be tied to some carefully selected
X-ray spectral line rather than to a crystal such as
calcite, because the definition in terms of a wavelength
would be more accurately reproducible. International
agreement in the selection of the most suitable line
would be essential, but there is little doubt that this
will later be done.
graphers who did use a conversion factor prior to

the expression of their results in
did not necessarily use the same conversion factor, or the same
initial X-ray wavelength values in kX, so that one
can sometimes only find out from internal evidence
exactly what has been done; and sometimes the
internal evidence is missing;
2.1.3. Periodic
System
(see separate Chart)
This periodic system is a rearrangement of the table

published by N.V. Philips' Research Laboratories,
Eindhoven, Netherlands [10]. Some alterations and
44
PERIODIC SYSTEM OF THE ELEMENTS
VII
VI
IV
III
II
VIII
1-0080
Is
2
1st
period
He
4003
Is
"I
Ne
10
3 Li
4 Be
5B
6C
7N
80
6-940
9-013
10-82
12-011
14-008
16
2s
2s !
2s 2 2p
2s 2 2p 8
2s 2 2p 3
2
2s 2p*
11
Na
Mg
12
20-183
22-991
24-32
2s s 2p
3s
3s 2
18
19
3s 2 3p
13 Al
14 Si
15P
16 S
17 CI
28-09
30-975
32-066
35-457
3s 2 3p
3s 2 3p 2
3s 2 3p 3
3s 2 3p*
3s 2 3p 5
Ca
21 Sc
22 Ti
40-08
44-96
47-90
4s 2
3d4s 2
20
39-100
39-944
0.k
4s
-t26
19-00
2s 2 2p'
26-98
-24
2nd period
9F
000
Mn
24 Cr
25
26 Fe
27
50-95
52-01
54-94
55-85
58-94
3d Ms 2
3d 5 4s
3d 5 4s 2
3d 8 4s 2
3d 7 4s 2
23
;; 4b
:
Co
=50
3d Ms 2
3rd period
36
Kr
37
83-80
10
3d 4s 4p
63-54
72-60
74-91
78-96
3d 10 4s
3d 10 4s 2
t,
3d ,0 4s 2 4p
3d l0 4s 2 4p 2
3d 1 Ms 2 4p 3
3d 4sMp 4
Rb
Zn
38 Sr
5s
64
39
87-63
5s
47
Xe
131-30
4d 10 5s 2 5p 6
34 Se
69-72
30
40 Zr
91-22
88-92
4d5s
4d 5s
Ag
48
Cd
-=94
2
49 In
107-880
112-41
114-82
4d 10 5s
4d 10 5s 2
4d"'5s 2 5p
f>-
Hf
55 Cs
56
130
57 La
72
132-91
137-36
134
138-92
178-50
- 17S
6s
6s 2
138
5d6s 2
5d 2 6s 2
= 182
Ba
41
: 90
4th period
54
As
33
32
^=68
Cu
85-48
2
Ge
31.Ga
65-38
29
Nb
79-916
Mo
92-91
95-95
4d 4 5s
121-76
4d' 5s 2 5p !
4d
"5s
52
5p 3
Ta
74
Te
53
183-86
126-91
4d 10 5s 2 5p 4
4d'5s 2 5p 5
5d a 6s =
5d'6s 2
75
184
c 188
Ru
45
Rh
46 Pd
102-91
106-4
106
4d 7 5s
4d"5s
4d lo
Re
78 Pt
-192
76
0s
77
Ir
186-22
190-2
192-2
5d 5 6s 2
5d 6 6s !
5d'6s 2
._- 19
~- :193
195-09
5d"6s
5th period
79
6th period
Au
80
Hg
81 Tl
82 Pb
83 Bi
207-21
20900
5d ll '6s 2 6p 2
Sd'^s^p 3
Be
1970
200-61
204-39
5d 16 6s
5d 10 6s"
5d 6s 2 6p
Ra
86 Rn
87 Fr
88
[222]
[223]
226-05
Sd'^s^p 8
7s
7s
89
Ac ^
[227]
'
-sî
]
84 Po *--t
210
85 At
J:"
214
[210]
[210]
.a
5d !0 6s 6p 1
1!
? 51
F218
5d'6s 2 6p s
r;:227
6d7s-
<1%
58
L=Lanthanides (58-71)
Ce
60
59 Pr
Nd
: 142
61
Pm*
62
Sm
144
63 Eu
64
Gd
148
140-13
(Rare earth elements)
4P6s 2
90 Th
A=Actinides (90-103)-
232-05
6d'7s
4P6s
|- r226
91
4f*6s 2
Pa
92
g" : ;230
*"' ;234
:146
144-27
140-92
5f 6d7s ?
Only
Configuration predicted.
231
234
238-07
150
;234
a
5f 3 6d7s 2
152
4f s 6s !
93
Np*
4f"6s a
94 Pu*
157-26
152-0
150-35
4f 7 5d6s 2
4f 7 6s 2
95
Am*
96
Cm*
1 152
65
Tb
Ê 1-56
158-93
- = 160
4P6s
66
Dy
162-51
67
Ho
164-94
Tm
68 Er
69
167-27
168-94
70
'
Yb
173-04
5P7s 2
5f'7s 2
5f'6d7s s
artificial.
<*,
indicate natural 8
radioactivity;
K=K capture.
71
;
97 Bk*
4f'6s
98 Cf*
4f"6s
99 Es*
4f l2 6s 2
100
Fm*
13
4f 6s
101
Md*
4f
14
6s
5f 9 6d7s 2 or5f*7s?
5f 10 7s"?
5f"'7s 2 ?
5f 12 7s 2 ?
5f 13 7s 2 ?
172
176
Lu
174-99
4f
l,
5d6s
Isotope
~7
ratio
1-10%
10-20%
20-30%
30-40%
40-50%
50-60%
60-70%
70-80%
80-90%
90-100%
The atomic weight (chemical

102
(No)*
1 :238
5f 4 6d7s s
:168
5f"7s 2 ?
M02
101-1
10
127-61
180-95
44
4d s 5s s
Sb
51
3d 10 4s 2 4p 5
43 Tc*
4d 5s
118-70
73
35 Br
78
-F82
42
50 Sn
-174
74
is
scale)
derived from isotopes indicated
by fully drawn lines. Where the

atomic weight is not known, the
[mass number] of the isotope of
longest half-life is given. See Table
2.1.4.
= 196
l=2(X>
2.1.
additions originating from general references [2]

[5] [6] and [7] are incorporated.
In each block are given the following data:
1
The atomic number.
2.
The
3.
The atomic weight, on
the International
[4]
Atomic Weights Committee, 1957
In the case of elements artificially produced and

of unstable elements the mass number of the isotope
of longest known half-life is given, in square brackets,
[11].
instead of an atomic weight, but a few calculated

atomic weights are added (see Note below).
internationally-accepted symbol.
by a macromethod DM and those calculated from X-ray

data D x The former are derived from a number of
The
the chemical scale, according
to the agreement of the International
densities given are those observed
scopic
Union of
Pure and Applied Chemistry (1957)

4.
[11].
sources, including a search of recent literature; the

latter have been quoted or calculated from the
The short notation of the electron configuration of

the lowest energy level of the neutral atom (the
A
fully occupied levels are not mentioned).
crystallographic data believed to be most reliable.

Sources of information are listed in the references
question-mark indicates uncertainty.

5.
rough indication of the concentration
[l]-[37].
Indication of natural a or j3 (+ or -) radioactivity

electron capture (K).
and of
7.
An
asterisk indicates elements that are only
made
artificially.
The elements 58-71
are given together as Lantha-
distances, will be
and the elements 90-102 are given together as

The latter series would terminate at
Actinides.
element 103. The mass numbers of the various
artificial isotopes of both natural and artificial elements
Ranges of mass numbers, with half-lives, are

given in references [2] [4] [5] [7]. All the data for
rare-earth metals (M.P., B.P., density, crystal structures and transition temperatures) are from a preprint
kindly supplied by A. H. Daane and F. H. Spedding.
The
of these, with their half-lives, are to be found in a

number of easily accessible places, including the
latest editions of [2] [4] and [5].
Some
The chart 2.1.3

and natural isotope abun-
in Section 4.
dances.
lists
2.1.4.
found
gives atomic structures
nides
are not, in general, included (but see Table 2.1.4).
special cases (e.g. isotopes, allotropes)
seem to be well authenticated.

Melting points and boiling points are those given in
references [7] to [15] except where later values are
Crystallographic information has been
known.
brought up to date as far as possible (June 1960) but
does not, in' general, include unstable forms where
Some further details of
stable forms are known.
structures of the elements, including interatomic
ratio of
the isotopes of natural elements.

6.
Some
are given where these
(See also Section 4.3.)
Note. In calculating Z> x it is essential to use the

value of the Avogadro number, N, appropriate to the
expression of atomic weight in terms of the chemical
scale, and to the conversion factor A=X g /X s adopted.
on the unified scale as 6-022 57
Table 2.1.1 gives
Properties of the Elements
In Table 2.1.4 the elements are listed in alphabetical

order of the British spelling of the name. Alternative
names are given in cases where the symbol (in the
second column) is a shortened form of the alternative.
The fourth column gives the observed atomic
weights (chemical scale) published in the Report of
corresponding with A= 1-002 063. The value

on the chemical scale corresponding with
of
4=1-002 02 is 6-023 88 x 10 23
10 23
45
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4> 03
o
;2 O
E H 4S
-o T3
o E
03
O
 *3
> ea -S
Sh
_
4> - o3
i-i
C
60
S 5b >,
60S
43
ca
.2 E c
I O r"
43E
03
oos

ea
"Su
3
O'w
u3
^^
O >
a
C .5 43
3 b 3 60 -.
u *i
Wx, nt
D 3 u
r!
61
43 -5 o
w OS u *^ *j ^_r
os
b
*j
r >^ <D 3 (3 4?
ci
42
4-5
.5
eo.22
O
CN
<D
ixi
42
-^
d
d d
d w
d
V5
43
TJ .S
_c
X>
03
o
T3
CN
in
in cn
CN r+
>>
PQ
o F
o u
_o^
~S
"
i>
u.
tJ-
4-
n
-^
"a
-o
,
Iff
43
PQ
-y *
a
-tn
^f
fS

t/5
>*-
P-
*o
S
c
5/5
>
43
><
>H
\-i
T3
4)
PQ
D.
ID
>i
Ow
I
E^ 3
T3
T3 43
S >>"
E
03
^ ta ea^ V 43^ f4^"
o
2 c o
E Ji 43 u fa^4^"H
J3 43
_
1)
6
a
6
2
B
2
5
KS
'S
>
s
2
c
c
jB
e
3

<->
>h
56
S
P
'2
o
o
^1
Ph
i/3
5>
I-
ca
& =~43 B
.-Si
i> .ti
ea
2.1.
References
2.1.1.
[2]
[1]
Boyne, H.
[2]
Everling,
and Franken,
S.,
P.
A. Phys. Rev., 123,
[3]
242, 1961.
F., Konig, L. A., Mattauch,
and Wapstra, A. H. Nuclear Phvs.,
J.
H. E.,
[4]
18, 529,
G.E. Chart of the Nuclides (Schenectady, N.Y., 1956).

Hampel, C. A. Rare Metals Handbook (Reinhold,
New York, 1954).
Hodgman, C. D. Handbook of Chem. and Phys.,
41st ed. (Chem. Rubber Publ. Co., Cleveland,
1959-60).
1960.
[5]
2.1.2.
[6]
[3]
Barrell, H., and Essen, L. Science Progress 47, 209,
(R.C.A., Princeton, 1953).
1959.
[4]
Bearden,
[7]
J.
48, 385,
A. Phys. Rev., 37, 1210; 38, 2089, 1931;

1935. Backlin, E. Z. Phys., 93, 450,
[8]
Soderman, M.
Nature, Lond., 135, 67,

1935; Dissertation (Uppsala) 1934. Tyren, F.
Z. Phys., 109, 722, 1938; Nova Acta Reg. Soc. Sci.
Upps., (4), 12, No. 1, 1940-1; cf. Birge, R. T.
1935.
[5]
[7]
[9]
Amer. J. Phys., 13, 63, 1945.

Bearden, J. A. J. Appl. Phys., 12, 395, 1941. Birge,
R. T. Rep. Progr. Phys.,
[6]
[10]
Nuovo
Compton,
[9]
Phys. Rev., 25, 625, 1925.

DuMond, J. W. M. Suppl.
1952).
[11]
[12]
[13]
to
//
Nuovo Cim.,
Bologna, (10), 6, 68, 1957 (discusses implications

of choice of calcite as standard crystal).
[10] DuMond, J. W. M., and Cohen, E. R. Phys. Rev.,
[12]
DuMond,
W. M.
J.
[15]
45, 1052, 1959.

J.
W. M., and Bollman,
Ibid.,
40,
662,
1932.
V. L. Phys. Rev.,
Straumanis, M.,
et
S.,
and Riley, D.
P.
(Oosthoek, Utrecht; to 1959.)

Stull, D. R. and Sinke, G. C. Thermodynamic
Properties of the Elements. Adv. in Chem., Series
No. 18 (Amer. Chem. Soc, Washington D.C.,
1956).
al.
[16]
Taylor, A.
to X-ray Metallography
York, 1961).
Wyckoff, R. W. G. Crystal Structures (Interscience,
New York, 1948-60).
[17]
Introduction
New
(Wiley,
Phys., 25, 691, 1953.
H.
Proc. Nat. Acad. Sci., 45, 471, 1959.

Stimson, H. F. "International Temperature Scale,"
/. Res. Nat. Bur. Standards, 42, 209, 1949.
Tu, Y.
Z.phys. Chem., B42, 143, 1939.

DuMond, J. W. M., and Cohen, E. R. Rev. Mod.
[14] Lipson,
1957. /. Chem. Soc, 5101, 1957; /. Amer. Chem.

Soc, 80, 4121, 1958.
Seaborg, G. T. "Transuranic Elements: a Review,"
and Structure Reports, Vols. I-XVI,

continuing, Abs. for 1928-52 (onwards). Publ.
for the International Union of Crystallography.
Proc. Nat. Acad. Sci., Wash.,
50, 524, 1936; 54, 1005, 1938; see also
Report of the Commission on Atomic Weights, 19th

Conf. Intern. Union Pure and Applied Chemistry,
[14] Strukturbericht
103, 1583, 1956.
DuMond,
N .V. Philips Research Labs., Eindhoven, Netherlands,

Periodic System of the Elements (W. de Groot and
C. J. Bakker, Ned. Tijdschr. Natuurkunde, 18, 113,
Conf. on the Univ. Constants, Suppl. to //

Cim., Bologna, (10), 6, 110, 1957.
A. H., Beets, H. N., and Defoe, O. K.
[8]
[11]
Meggers, W. F. Periodic Chart of the Atoms (W. M.

Welch Sci. Co., Chicago, 1959).
Metallurgy of the Rarer Metals. Gen. Ed. Finniston,
H. M.: 1, Cr; 2, Zr; 3, Mn; 4, Ti; 5, Mo; 6, Ta
and Nb; 7, Be (Butterworth, London, 1954-60).
Pearson, W. B. Handbook of Lattice Spacings and
Structures of Metals (Pergamon, London, 1958).
8, 90, 1941.
Bragg, W. L. J. Sci. Instr., 24, 27, 1947.

Cohen, E. R., DuMond, J. W. M., Layton, T. W.,
and Rollett, J. S. Rev. Mod. Phys., 27, 363,
1955. Cohen, E. R. Rep. of Turin Avogadro
Mem.
[13]
Kaye, G. W. C, and Laby, T. H. Tables of Phys.

and Chem. Constants, 12th ed., 1959.
Leverenz, H. W. Periodic Chart of the Elements
Nature, Lond., 151,
250, 1943.
[15]
[16]
Special
Lonsdale, K. Acta Cryst., 3, 400, 1950.

Merrill, J. J., and DuMond, J. W. M. Phys. Rev.,
[18]
[19]
Proces-verbaux des Seances du Comite International

des Poids et Mesures, 2nd series, 26B, Ml, 1958.
[18] Sandstrom, A. E. Fliigge's Encyc. Physics, 30, 162
[17]
[20]
Siegbahn, M. Spectroscopy of X-rays, pp. 26, 84

(Oxford Univ. Press, Oxford, 1925).
[21]
[20] Trans. Int. Solar Union, 2, 20, 28, 1907.
[22]
[21] Ibid., 6, 338, 1939.
[23]
[22] Ibid., 9, 201, 1957.
[24]
and Grant, N.
E. P.,
AIME,
J.
J.
Metals,
206, 975, 1956.
Aggarwal,
P. S., and Goswami, A. Proc. Phys.

Soc, B 70, 708, 1957.
Atoji, M., Schirber, J. E., and Swenson, C. A.
/.

[19]
Abrahamson,
N.Y., Trans.
110, 79, 1958.
chem. Phys., 31, 1628, 1959.
Bolz, L. H., Boyd, M. E., Mauer, F. A., and

Peiser, H. S. Acta Cryst., 12, 247, 1959.
Collin, R. L. Ibid., 5, 431, 1952; 9, 537, 1956.
De Haan, Y. M. Physica, 1A, 855, 1958.
Ellinger, F. H. /. Metals, N.Y., Trans AIME, 206,
1256, 1956.
2.1.3.
and
[26]
[27]
Kogan, V.
2.1.4.
General
[1]
Henshaw, D. G. Phys. Rev., 109, 328, 1958

Donohue, J. Ibid., 114, 1009, 1959.
Hoard, J. L., and Newkirk, A. E. /. Amer. Chem.
[25]
Donnay,
J.
D. H., Nowacki, W., and Donnay, G.
Crystal Data, Geol. Soc. America,

1954.
Memoir
Soc, 82,
60,
70, 1960.
S.,
Zh. eksper.
57
Lazarev, B. G., and Bulatova, R. F.

teor. Fiz., 31, 541,
1956; 37, 678, 1959.
REFERENCES
[28]
Martin, A.
Metals,
[29]
Moss, R.
J.,
and Moore, A.
1, 85,
and Woodward,
L.,
/.
Less-Common
[32]
1959.
'
I.
Acta
[33]
Cryst., 12,
LaPlaca,
[34]
Schuch, A.
[31]
Snyder, D. D., and Montgomery, D.
Grilly, E. R., and Mills, R. L.
Phys. Rev., 110, 775, 1958.
[35]
J.
/.
Tucker, C. W., Senio,
[30]
F.,
P.,
S.,
and Post, B.
Acta
Cryst., 13, 271, 1960.
255, 1959.
r rt ,
Talley, C.
chem.
P.,
Thewlis,
and Steeple,
J.,
Ibid-, 9, 472, 1956.
Weiner, R.
Metals
T.,
1
Zachariasen,'
and Raynor, G. V.
/.
Less-Common
309 1959.
W.
H.,
and Ellinger,
F.
H.
/.
chem.
Phys., 27, 811, 1957; Acta Cryst., 8, 431, 1955;

ibid., 12, 175, 1959.
Phys., 27, 1033, 1957.
58
Tables relating to the Production, Wavelengths and Intensities of X-rays
2.2.
2.2.1.
relating to the Production of X-rays
Formulae
suitable operating voltage for the characteristic
is considered to be 2 to 4 times the critical

excitation voltage for the line. As long as the tube is
not overloaded according to the specifications of the
radiation
[1] [2]
An X-ray tube operating at a voltage V emits a continuous X-ray spectrum, the maximum frequency v m
of which is given by
hv m =
Expressed in terms of
using the equation
manufacturer the intensity of the lines will be proportional to the tube current. The spectral profile of
white radiation will, of course, be dependent on the
conditions of voltage rectification, if any.
eV
minimum wavelength
X min
and
2.2.2.
in
we have
^min = hcjeV
or
given in Table 2.1.1, this equation yields numerically

12 398,.
u
(in volts)
V=
.(la)
12 397 5
based on the
units)
as
obtained
kX
in
piled
Sections 2.1.1 and 2.1.2.)

With the conversion factor A = 1-00202, used
throughout these tables, the following identities are
or
is
(expressed
of the experimental data from which they were comIf Tables 2.2.2 or 2.2.3 are
(cf. Section 2.1.2).
used for the determination of crystal dimensions the
results will be correctly expressed in A, with an
accuracy of 1 in 25,000. However, if precision of
is required it is preferable to work
better than 0-01
in X.U. and to use the latest wavelength values of the
X-radiation employed. In any case, it is always
desirable to publish the values of wavelength(s) used
in crystallographic studies and of the conversion
is
12 397,
(value
but only to about 1 in 25,000. They are relatively

correct to the accuracy given within the limits of error
expressed as the value in kX, multiplied by

1-002063. (For conversion factor A = 1 002063 see
where A
{i.e.
00202}
Table 2.2.2 (page 60)
values
..
wavelengths in units kX/1 00202

1
wavelength
published by
Cauchois and Hulubei [6]. Their values have been
multiplied by the conversion factor 1-00202 [71. It is
important to emphasize that the values listed are not
-10 m) to the accuracy given,
absolutely correct in A (lO
V=hcjeX min
where h = Planck constant and c = velocity of light.

Using the latest values of the physical constants as
12 398
kX) x
(I*)
X min being expressed as the value in kX, multiplied by

and kX see Section
1-00202. (For discussion of
factor adopted, if any.
2.1.2.)
Expressing the wavelength in kX-units

12 372,
or
V=
we have
in
is
based on the
kX
{i.e.
(value in
wavelength
published by
Cauchois and Hulubei [6]. Their values have been
multiplied by the conversion factor 1-00202 [7]. As
with Table 2.2.2, it must be emphasized that the values
-10
m) to the
listed are not absolute in terms of
(10
accuracy given, but only to about 1 in 25,000. They
are relatively correct to the accuracy given within the
limits of error of the experimental data from which
they were compiled (cf. Section 2.1.2).
values
(expressed
in
units)
as
1-00202).
The intensity (/) of each characteristic line depends

on the applied voltage ( V) and the critical excitation
voltage
wavelengths in units kX/1 00202

00202}
Table 2.2.3 (page 63)

.(lc)
tion edge (Aae ) (for Amines Table 2.2.2, for L-lines

Table 2.2.3), e.g. (lb) F =12 398/Aae (A expressed as
kX, multiplied by
L
1
12 372,
Using one of the three equations (la), (lb) or (lc) it is

possible to calculate the critical excitation voltage (V )
for characteristic lines from the corresponding absorp-
the value in
2.2.3.
kX) x
accordance with the relation
2.2.4.
I=k(V-V )"
Tables of some Functions of Wavelengths
In this section a few tables are given (page 66) of

functions of A, with some possible uses for Ka. and AT/?
radiations of 18 different target elements in common
use in X-ray crystallography.
:
which k is a constant; the value of n lies between

n = 1 -5 Jonsson [4]
1 -5 and 2. (Webster and Clark [5]
=l-7, for WL and PtL; Allison [3]: n=2 for Th.)
This relation holds up to about K/F = 4; at higher
values of VjV the intensity falls below the value
in
In five decimal places corresponding to Tables

2.2.2 and 2.2.3, in units kX/ 1-00202. These are
in
to an accuracy of 1 in 25,000 only (see
corresponding to this relation. The greatest intensity

of the characteristic line relative to the continuous
radiation is reached at Vj V = 4.
Section 2.1.2).
(Continued on page 68)
59
2.2.
TABLES RELATING TO THE PRODUCTION, WAVELENGTHS AND INTENSITIES OF X-RAYS
TABLE
2.2.2
Wavelengths of JT-emission Series and Absorption Edges
The
At.
units are
No.
kX/1 -00202. They
Element
symbol
may
be taken as in
K<x 2
A to
an accuracy of
Wi
Koc y
in 25,000 only (see Section 2.1.2).
(D signifies
mean of doublet)
K absorption
edge
He
Li
240
Be
113
67
44
31-60
30- 99
23-71
23- M
F
Ne
14-616
14-464
11
Na
11-909
11-617
12
Mg
13
Al
14
Si
15
16
S
CI
9
10
17
8-33669
7-12528
6-154S
9-5117
7-981
7-9511
6-7681
6-7446
5-8038
5-7866
5-0182
4-3969
3-8848*
3-8707
3-4538
3-43645
3-0896
3-03114
2-74841
2-50348
2-28962
2-10175
2-7795
2-51381
2-757 3
2-28434
2-08480
1-91015
2-269 02
1-93991
1-93597
1-75653
l-608 u
Cu
1-54433
1-78892
1-65784
1-54051
1-62075
Ni
1-79278
1-66169
Zn
1-43894
1-43511
Ga
Ge
1-34394
1-34003
1-25797
1-25401
As
1-17981
1-17581
Se
1-10875
1-04376
1-10471
Mn
3-03452
2-75207
2-50729
2-29351
2-10568
Fe
Co
21
Sc
Ti
32
33
34
35
8-33916
7-12773
5-03169
Ca
31
9-558
9-888S
4-4031
20
26
27
28
29
30
18-31
5-37196
4-72760
4-19162
3-74122
3-35825
A
K
22
23
24
25
43- 68
5-37471
4-73050
4-19456
3-74462
3-36159
19
18
226-5
V
Cr
Br
36
37
38
39
Kr
40
Zr
Rb
Sr
0-92551
0-87938
0-83300
0-79010
0-875214
0-82879
0-78588
1-38102
1-28366
-20784
1-19595
1-12890
1-05726
1-11682
See Notes at end of table.
60
1-896,,
l-39217t
1-29522
0-87845
0-82863
0-78288
0-74068
0-70170
0-9801
0-9841
0-92963
2-070!.,
1-48861
0-99212
0-93273
1-03969
2-497 30
1-50010
07016
1-04498
0-97986
0-92064
0-86609
0-81641
0-77076
0-72874
0-68989
-74334
-48802
l-380 43
l-283 8
M95 67
M16 52
1-044,,
0-979 78
0-91995
0-86547
0-81549
0-76969
0-72762
0-68877
2.2.
TABLE
2.2.2 (continued)
Wavelengths of if-emission Series and Absorption Edges
The
kX/ 1-00202.
units are
At No.
Element
symbol
41
Nb
42
43
44
45
Mo
Tc
Ru
Rh
46
47
48
49
50
Pd
51
52
Sb
Te
53
Ag
Cd
In
Sn
54
55
56
57
58
59
Ba
La
Ce
Pr
60
Nd
61
Pm
62
63
64
65
Sm
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
Cs
Eu
Gd
Tb
Dy
Ho
Er
Tu
Yb
Lu
Hf
Ta
Re
Os
Ir
Pt
Au
Hg
They may be taken
as in
to an accuracy of
K absorption
Koc 2
K^
Kfi x
0-75040
0-713543
0-67927*
0-64736
0-617610
0-74615
0-70926
0-67493*
0-64304
0-613245
0-66572
0-632253
0-60141*
0-57246
0-54559
0-65412
0-62099 (D)
0-59018*
0-56164
0-53509 (D)
0-589801
0-563775
0-53941
0-51652
0-49502
0-585415
0-559363
0-53498
0-51209
0-49056
0-52052
0-49701
0-475078
0-454514
0-435216
0-51021
0-48701
0-46531
0-444963
0-425900
0-509 15
0-4858 2
0-47479
0-455751
0-437805
0-42043
0-404812
0-470322
0-451263
0-433293
0-41596
0-400268
0-417060
0-399972
0-383884
0-36846
0-354347
0-407950
0-391080
0-37547
0-35989
0-346084
0-40663
0-38972
0-373 79
0-35849
0-34474
0-389646
0-375279
0-361665
0-348728
0-356487
0-385089
0-370709
0-357075
0-344122
0-331822
0-340789
0-327959
0-315792
0-304238
0-293274
0-332745
0-32024 (D)
0-30826 (D)
0-29690 (D)
0-28631
0-33137
0-31842
0-30647
0-29516
0-28451
0-3249
0-31365
0-30326
0-29320
0-28343
0-3207
0-30895
0-29850
0-28840
0-27876
0-28209
0-27305
0-26360
0-25445
0-24601
0-27430
0-26552
0-25716
0-24911
0-24147
0-26957
0-26083
0-25248
0-24436
0-23676
0-23405
0-22699
0-220290
0-213813
0-207598
0-22928
0-22218
0-215484
0-208992
0-202778
0-20212
0-19554
0-190076
0-184363
0-178870
0-201626
0-195889
0-190372
0-185064
0-17992*
0-196783
0-191033
0-185504
0-180185
0-17504*
0-173607
0-168533
0-163664
0-158971
0-15439*
0-23758
edge
0-65291
0-61977
(0-5891)
0-560 47
0-533 78
0-46409
0-44388
0-42468
(0-2761)
(0-2743)
0-26629
0-25697
0-24812
0-23960
0-26462
0-25552
0-24680
0-23840
0-23175
0-23046
0-22290
0-21566
0-2089
0-20223
(0-2302)
(0-2244)
0-22260
0-21530
0-20876
(0-2101)
61
(D signifies
mean of doublet)
0-21715
0-20363
0-19689
0-19081
0-18508 (D)
0-17950 CD)
0-17415 (D)
0-16899 (D)
01 6404
(>)
0-15928 (D)
0-15471 (D)
0-15020 (D)*
0-19584
0-18981
0-18393
0-17837
0-17311
0-16780
0-16286
0-15816
0-15344
0-14923
2.2.
TABLE
2.2.2 {continued)
Wavelengths of JT-emission Series and Absorption Edges
The
kX/ 1-00202.
units are
At No.
They may be taken
as in
to an accuracy of
Wt
Element
symbol
K* 2
KOL^
Wi
0-175028
170285
165704
1608*
0-170131
0-150133
0-145980
0-141941
0-1382*
(D signifies
mean of doublet)
(0-1461)
K absorption
edge
0-14470
0-14077
0-13706
81
Tl
82
83
84
85
Pb
Po
At
(0 1570)
(0 1521)
(0-1343)
(01307)
(0-1295)
86
87
88
89
90
Rn
(0 1529)
(0 1479)
(0-1307)
(0-1271)
(01260)
Fr
(0 1489)
(0 1440)
(0-1272)
(0-1236)
(0-1225)
Ra
Ac
Th
(0 1450)
(0 1401)
(0-1237)
(0-1203)
(0-1192)
(0 1364)
(0-1205)
(0-1172)
(0-1161)
91
Pa
(0 1344)
92
93
94
95
96
97
98
99
100
Bi
(0 1414)
137820
130962
165364
160777
1559*
0-117389
132806
(0-1143)
(0 1294)
0-111386
125940
0-14201 (D)
0-13807 (D)
0-1333*
011416(D)
(0-1112)
(0-1332)
011293
(01101)
010864
010680
Np
(0 1278)
(0 1226)
(0-1085)
(0-1055)
(0-1045)
Pu
(0 1246)
(0 1195)
(0-1058)
(0-1029)
(0-1018)
(01031)
(01003)
(0-0992)
Am
(0 1215)
(0 1165)
Cm
(0 1186)
(0 1135)
(0-1005)
(0-0978)
(0-0967)
Bk
(0 1157)
(0 1107)
(00980)
(0-0953)
(0-0943)
Cf
(0 1130)
(0-0956)
(00930)
(00920)
Es
(0 1103)
(0 1079)
(0 1052)
(0-0933)
(0-0907)
(0-0897)
Fm
(0-1077)
(0-1026)
(00910)
(00885)
(0-0875)
Notes
Values given in brackets have been calculated, either by interpolation or (by I. Manescu) using the energies of the various
by,Y. Cauchois (J.Phys. Radium, 13, 113, 1952; 16, 253, 1955; and unpublished work).
* These are experimental values, not given in [6]. These data have all been kindly supplied by Y. Cauchois (either from her
own measurements or from the literature). The number of significant figures given here are in some cases reduced, because the
(units kX/ 1-00202) in any case reduces the absolute accuracy. They are ample for the use of crystalloConversion to approximate
graphers in general. If more accurate data are required the original references should be consulted, not only for the data themselves
but for the details of the experimental procedures (method of estimating position of spectral lines, width and contour of lines, whether
from the pure element or a compound, etc.).
t Mean of p u p,. (See J. A. Bearden and C. H. Shaw, Phys. Rev., 48, 18, 1935.)
levels given
62
2.2.
TABLE
2.2.3
Wavelengths of Z-Emission Series and Absorption Edges
The
units are
kX/1 -00202. They may be taken as in A to an accuracy of 1 in 25,000 only

Except where marked, the edge given is L lu See Notes at end of table.
(see Section 2.1.2).
At.
No.
Element
symbol
He
Li
Be
La 1
Lot 2
LP X
LP t
absorption
edge
10
F
Ne
11
Na
407-6
(400)
12
Mg
251-0
251
13
Al
169-8
14
Si
123
170
(In.ni)
126-5 (L )
15
16
17
S
CI
18
19
(42-7)
20
Ca
36-32
21
Sc
Ti
22
23
24
25
m
m)
(Z n
(L
(76-05)
(62-93)
(50-60)
(42-17)
35-95
35*49
31-33
31-01
(30-53)
27-39
27-02
(27-37)
24-26
23-85
Cr
21-67
21-28
Mn
(24-26)
20- 7
19-45
19-12
(19-40)
26
27
28
29
30
Fe
17-567
17-255
(17-53)
Co
15-968
15-667
(15-93)
Ni
14-566
14-279
14-579*
Cu
Zn
13-330
13-053
13-288 8
12-257
11-985
12-130,
31
Ga
11-290
11-023
11-149*
32
33
34
35
Ge
10-435
10-174
10-229*
As
9-671
9-3671
Se
8-990
Br
8-375
9-414
8-736
8-125
(7-989)
(7-574)
(7-395)
7-0757
6-6237
6-2117
5-8358
6-863 3
36
37
38
39
40
Kr
Rb
Sr
Y
Zr
(7-822)
7-3249
6-8694
6-4555
6-0776
7-3181
6-8625
6-4485
6-0702
63
8-645 6
6-386 8
5-961 8
5-5861
5-582 9
2.2.
TABLE
2.2.3 (continued)
Wavelengths of L-Emission Series and Absorption Edges
The
kX/ 1-00202. They may be taken
units are
as in
A to
Except where marked, the edge given
At.
No.
Element
symbol
La 2
La. x
an accuracy of 1 in 25,000 only

Lm See Notes at end of table.
is
LPi
Lp t
41
Nb
5-7317
5-7240
5-4921
42
43
44
45
Mo
5-41406
5-40625
5-17679
5-2377
4-9230
Tc
(see Section 2.1.2).
absorption
edge
5-222 6
4-912 5
(5-1212)
(5-1126)
(4-8782)
(4-635)
(4-629)
Ru
Rh
4-85343
4-60528
4-84552
4-59727
4-62041
4-3715
4-1305
4-129 6
46
47
48
49
50
Pd
4-37572
4-16269
3-96482
3-78060
3-60873
4-36760
4-15412
3-95628
3-77191
3-59987
4-14596
3-93443
3-73808
3-55520
3-38478
3-9087
51
Sb
Te
3-44828
3-29835
3-15780
3-43915
3-28909
3-14849
3-22559
3-07666
2-93733
3-02333
2-88207
2-75043
Ag
Cd
In
Sn
52 .:
53
54
55
4-37392
3-70307
3-51407
3-33832
3-17519
(3-026)
(3-016)
(2-807)
(2-627)
Cs
2-9016
2-8920
2-6834
2-5115
56
57
58
59
Ba
La
Ce
60
Nd
2-7849
2-6743
2-5703
2-4726
2-3804
61
Pm
62
63
64
65
Sm
Gd
2-2925*
2-2102
2-1316
2-05677
Tb
66
67
68
69
70
72
73
74
75
76
77
78
79
80
3-503 8
3-324 4
3-155 9
2-999 9
2-855 4
2-719 4
2-592 4
2-473 9
2-362 8
2-7752
2-5674
2-4583
2-5612
2-4627
2-3558
2-2584
2-3701
2-1666
2-4042
2-3026
2-2086
2-1191
2-0355
2-282*
2-0796*
1-9557*
1-9976
1-8819
l-844 5
1-9202
1-8118
1-775,
1-8462
1-7454
l-709 4
1-9863
2-1994
2-1206
2-0460
1-9755
1-7763
1-6824
1-648.
Dy
Ho
1-91983
1-8558
1-90875
1-7100
1-6231
1-579
1-8447
1-6468
1-5669
Er
1-78428
1-7263
1-58729
1-5299
1-51399
1-4631
l-535 3
1-482 1B
Tu
1-79564
1-7374
Yb
1-68268
1-6719
1-47556
1-41530
l-386
Lu
Hf
Ta
1-63019
1-58038
1-53283
1-61943
1-42350
1-37402
1-37002
1-32631
1-48742
1-47635
1-32697
1-28176
1-28447
1-24458
1-34130
1-29711
1-25511
1-21545
Re
1-44387
1-43286
1-23853
1-20658
1-1769 7
Os
1-40226
1-36250
1-32438
1-28777
1-25258
1-39113
1-35130
1-19723
1-15783
1-11984
1-08356
1-04861
1-16978
1-13534
1-10196
1-07021
1-14043
1-10565
1-07239
1-03994
103966
l-0089 8
Eu
3-908i
3-698 3
2-6651
Pr
71
4-368 9
Ir
Pt
Au
Hg
1-56955
1*52187
1-31298
1-27639
1-24114
64
2-258 3
2-163 9
2-077
l-994 7
(1-918)
l-432 8
,
2.2.
TABLE
2.2.3 {continued)
Wavelengths of /.-Emission Series and Absorption Edges
The
units are
kX/ 1-00202. They may be taken
as in
At.
No.
Element
symbol
1 in 25,000 only (see Section 2.1.2).

to an accuracy of
Except where marked, the edge given
is
Lm
L
La 2
La. x
Lfli
02
absorption
edge
0-97930
0-95029
0-92336
81
Tl
1-21879
1-20735
82
83
84
85
Pb
Po
At
1-18644
1-15531
1-12556
1-17504
1-14385
1-11377
1-01519
0-98222
0-95197
0-92219
1-01033
0-98297
0-95514
0-92930
(0-8970)
(1-0966)
(1-0850)
(0-8936)
(0-9043)
(0-8720)
86
87
88
89
90
Rn
(1-0689)
(1-0572)
(0-8659)
(0-8805)
(0-8479)
Fr
(1-0421)
1-030
Ra
Ac
Th
91
Pa
92
93
94
95
96
97
98
99
100
Bi
1-01650
1-00468
0-840
0-81370
(0-9917)
(0-9799)
0-96771
0-858
(0-8248)
0-83532
0-8027 2
(0-7890)
(0-8140)
(0-7813)
0-95598
0-76517
0-79352
0-7606 3
0-9446
0-92242
0-9328
0-7422
0-71999
0-7737
0-75466
(0-7411)
0-91053
Np
0-9010|
Pu
0-8893f
0-8682f
0-6984f
0-6777|
0-7362t
0-7185|
Am
0-8802f
0-8602|
0-8481f
0-6576f
0-7014f
0-7042f
0-6867|
0-6700|
Cm
(0-8406)
(0-8287)
(0-6388)
(0-6849)
(0-6532)
Bk
(0-8219)
(0-8098)
(0-6203)
(0-6688)
(0-6375)
Cf
(0-8036)
(0-7917)
(0-6023)
(0-6534)
(0-6223)
Es
(0-7861)
(0-7740)
(0-5850)
(0-6385)
(0-6076)
Fm
(0-7691)
(0-7570)
(0-5682)
(0-6236)
(0-5935)
0-72226
Notes
Values given in brackets have been calculated, either by interpolation or (by I. Manescu) using the energies of the various
levels given by Y. Cauchois (J. Phys. Radium, 13, 113, 1952; 16, 253, 1955; and unpublished work).
* These are experimental values, not given in [6]. These data have all been kindly supplied by Y. Cauchois (either from
her own measurements or from the literature). The number of significant figures given here are in some cases reduced, because the
conversion to approximate A (units kX/ -00202) in any case reduces the absolute accuracy. They are ample for the use of crystallographers in general. If more accurate data are required the original references should be consulted, not only for the data themselves
but for the details of the experimental procedures (method of estimating position of spectral lines, width and contour of lines, whether
from the pure element or a compound, etc.).
f These values, for which we are indebted to J. W. M. DuMond, were measured by J. J. Merrill (Thesis, Cal. Tech., 1960)
to greater accuracy than is given here. Merrill expressed his data in terms of an "X-unit" so defined that the MoKx 1 line has a
central wavelength A= 707-8490 "X-units". By "central wavelength" is meant the intersection, with the line-profile, of the locus of
the centres of horizontal chords taken across the line-profile and extrapolated to the peak, after all appropriate corrections have
been made. In order to bring his figures into line with the units used in this table they have been multiplied by 1-00200, and are
then expressed correctly in A to 1 in 25,000. The data for Pu are in good agreement with those of Y. Cauchois et at. (C.R. Acad.
1
Sci. Paris, 239, 1780, 1954; 242, 1433, 1956).
65
2.2.
TABLE
Values of
Some
2.2.4
Useful Functions of A
Wavelengths are in units kX/1 -00202 and other columns correspond (see Introduction to Table
Section 2.1.2). For convenience, the approximate c.g.s. units are given.
A
(10- 8 cm)
A2
(10- 16
cm 2)
AV
A3
(10- 24
and
2.2.2,
1/A
cm 3)
log A
(10
cm"
(10- 50
c4
cm 5)
Ti
Ka x
Ka 2
Wi
Ka
2-74841
2-75207
2-51381
2-74963
7-5538
7-5739
6-3192
7-5605
20-761
20-844
15-885
20-788
8+0-43908
0-43967
0-40033
0-43927
0-36385
0-36336
0-39780
0-36366
0-39855
0-39920
0-35876
0-39876
0-39944
0-39884
0-43776
0-39924
0-35976
0-36050
0-31907
0-36001
0-43675
0-43601
0-32258
0-32340
0-28106
0-32285
0-47579
0-47491
0-28690
0-28778
0-24466
0-28719
0-51654
0-51549
0-56930
0-51619
0-55900
0-55779
0-61700
0-55859
45-46
36-18
164-8
165-5
126-1
165-1
V
Ka x
Ka 2
Aft
Ka
2-50348
2-50729
2-28434
2-50475
6-2674
15-690
6-2865
5-2182
6-2738
15-762
11-920
15-714
124-6
125-2
94-7
124-8
Cr
Ka x
Ka 2
2-28962
2-29351
2-08480
2-29092
5-2424
12-003
5-2602
4-3464
12-064
9-061
5-2483
12-024
2-10175
2-10568
1-91015
2-10306
4-4174
4-4339
3-6487
4-4229
9-284
Ka x
Ka 2
1-93597
3-7480
7-256
1-93991
3-7632
Wi
1-75653
Ka
1-93728
3-0854
3-7531
7-300
5-420
1-78892
3-2002
5-725
1-79278
3-2141
5-762
1-62075
1-79021
2-6268
3-2048
4-257
5-737
0-25259
0-25353
0-20972
0-25290
Kai
1-65784
2-7484
Ka 2
1-66169
Wi
1-50010
Ka
1-65912
2-7612
2-2503
2-7527
4-556
4-588
3-376
4-567
0-21954
0-22055
0-17162
0-21988
0-60319
0-60180
0-66662
0-60273
3-6559
3-6832
2-6982
3-6649
0-18766
0-18874
0-14369
0-18802
0-64914
0-64753
0-71830
0-64860
KfS x
Ka
0-47966
0-43651
95-3
95-8
72-0
95-5
Mn
Ka
Ka 2
Wi
Ka
9-336
6-970
9-302
0-52352
0-47550
73-7
74-
55-3
73-9
Fe
Co
Ka x
Ka 2
Wi
Ka
7-271
57-62
57-97
43-03
57-73
45-75
33-81
45-56
Ni
Cu
Ka x
Ka 2
K&i
Ka
1-54051
1-54433
1-39217
1-54178
2-3732
2-3850
1-9381
2-3771
66
36-43
26-80
36-26
29-03
29-25
21-42
2910
2.2.
TABLE
Values of
2.2.4 {continued)
Some
2.2.2,
and
A 3e 4
A
(10- 8 cm)
Zn
Ka x
Ka 2
A3
A2
(10- 16
cm 2 )
(10- 24
1/A
cm 3)
log A
(10 8
cm- 1 )
(10- 50
c4
cm 6)
0-69681
0-69496
0-77207
23-47
0-69619
23-53
0-74625
0-74408
0-82792
19-27
0-74553
19-16
0-79744
0-79493
0-88582
0-79660
15-66
1-9782
0-09830
0-09967
0-05266
0-09876
0-5030
0-5091
0-3997
0-5051
0-3568
T-85081
1-4099
0-3633
0-2527
1-4015
2-885
1-5816
2-007
0-3590
T-85342
1-80089
1-85168
1-4071
2-850
0-61324
0-61761
0-54559
0-61470
0-3761
0-2306
0-2356
0-1624
1-78764
1-79071
1-73686
1-6307
1-831
1-6191
1-871
1-8329
1-290
0-2323
1-78866
1-6268
1-844
0-58542
0-58980
0-52052
0-58688
0-3427
0-3479
0-2709
0-3444
0-2006
0-2052
0-1410
0-2021
1-76747
1-77070
1-7082
1-593
1-6955
1-629
1-71644
1-9212
1-120
1-76855
1-7039
1-605
Ka x
Ka 2
Kp x
Ka
0-55936
0-56378
0-49701
0-56083
0-31289
0-31784
0-24702
0-31453
0-1750
0-1792
0-1228
0-1764
1-74769
1-75111
1-7878
1-390
1-7738
1-423
1-69637
2-0120
0-975
1-74883
1-7831
1-401
Ka x
0-20899
0-21381
0-18436
0-21060
1-47635
1-48742
0-043678
0-045716
0-033990
0-044352
2-17961
2-21242
0-009128
0-009775
0-006266
0-009341
3-2180
3-2908
T-32013
1-33003
1-26567
1-32346
4-677
5-424
4-748
0-16919
0-17243
0-6774
0-6723
2-0595
2-0706
1-6776
2-0632
2-9557
8+0-15689
1-43894
1-29522
1-43639
2-9794
2-1728
2-9636
0-15804
0-11234
0-15727
1-34003
1-7957
1-8062
2-4063
2-4274
0-12711
1-34394
1-20784
1-4589
1-7621
1-34133
1-7992
2-4133
K0L 1
1-25401
1-5725
1-9720
KOC 2
1-25797
1-5825
1-9907
APi
1-12890
1-2744
1-4387
Ka
1-25533
1-5758
0-70926
0-71354
0-63225
0-71069
Wi
Ka
1-43511
23-66
17-25
Ga
Ka x
Ka 2
K? x
Ka
0-12838
0-08201
0-12754
19-11
13-99
Ge
15-81
11-42
15-71
Mo
Ka x
Ka 2
Wi
Koc
2-833
Rh
Koc x
Ka 2
Wi
K5L
0-3814
0-2977
0-3779
Pd
Ka x
Ka 2
Wi
Koc
Ag
w
Koc 2
Kf3 x
Ka
La x
La 2
67
4-785
0-0725
0-0776
0-0498
0-0742
25-55
26-13
2.2.
TABLE
Values of
2.2.4 (continued)
Some
(10- 16
(10- 8 cm)
AV
A3
A2
cm 2)
(10- 24
and
2.2.2,
1/A
log A
cm 3 )
(10
? c
cm- 1 )
(10- 50
cm 5)
Pt
0-18550
0-19037
0-16366
0-18713
1-31298
1-32438
Koc x
Kac 2
AjB x
Koi
Loc 1
L<x 2
0-034412
0-036241
+ 1-26835
5-391
T-27960
1-21395
1-27214
0-11825
0-12201
5-253
1-75398
0-006384
0-006899
0-004384
0-006553
2-2635
2-3229
0-032467
0-034249
0-025272
0-033055
0-005850
0-006338
0-004018
0-006010
1-25572
1-26732
1-20132
1-62917
2-0795
2-1356
0-026786
0-035018
1-72392
0-0507
0-0548
0-0348
0-0520
6-110
5-344
0-7616
0-7551
1801
17-97
Au
0-18019
0-18506
0-15897
0-18181
1-27639
1-28777
K<x x
Koc 2
Aft
Koc
Lcc x
La 2
1.
2.
1-65835
Calculation of sin 2 d from Bragg's equation.

Refraction corrections (Vol. Ill, Section
2.5.3; Vol. II, Section 4.7.4).
Calculation of absorption coefficients

Walter's empirical formula [8] [9]
r/p = const, x A 3Z m
in
Used with indexing

Bunn, Vol.
II,
00465
00503
1-25961
6-290
5-500
0-0319
0-0477
0-10599
0-10984
0-7835
0-7765
5-550
16 51
16-96
;
These tables can be used to facilitate the discovery

X-ray patterns of reflections originating from target
impurities.
The
by
units of A are
kX/ 1-00202, and
are accurate
relatively within the limits of experimental error of the
wavelengths originally used to compile the tables.
They may be regarded as equal to A with an accuracy

of 1 in 25,000 only. The values of BjA and of B 2 /A 2
t = coefficient for absorption due to the production of photoelectrons.

This A 3 rule can be used within limits (see
Section 3.2.2) to find, by interpolation, values
of absorption coefficients for wavelengths not
listed in Tables 3.2.2 A, B and E.
log A
5-404
are independent of the units adopted.
The Relative Intensities of K<x 2 , K. x and Kfl x

Radiations, as emitted from Various Targets commonly
2.2.6.
charts (such as those of
used
Sections 4.3.4, 4.6.2).
For most purposes one can assume a ratio of 2 1

Ka x and K<x 2 radiation of the
:
1/A
e 4A 3
2mV
For calculations of
for the intensities (/) of
(sin 0)/A.
commonly used
That part of the Lorentz-factor (Vol. II,

5.2.3), which is independent of the scattering
The
targets.
ratio of
angle.
from those
targets varies
Wavelengths
These tables are useful for the conversion of calculated or measured values, depending on the wavelength used, into the corresponding values for another
wavelength. The tables are restricted to Ka x
in
Kfix wavelengths of seven target elements
use, and to the L* x wavelength of tungsten.
intensi-
2.2.5. Ratios of Selected
KaJK^
from 6 1 to 3-5 1.
More accurate values are to be found in reference
Ia x and /& I* x are
2.2.6 [10], where the ratios I<x 2
given for 21 targets. They were measured with a
calcite spectrometer and with tubes with mica windows
of 2-3 x 10~ 3 cm thickness. Corrections were made for
the absorption in these windows and in air.
The intensities of K<x 3 and Kfi 2 radiations can
amount to perhaps one per cent of that of the corre-
ties
Ka 2 and
sponding Koc t radiation. In Table 2.2.6 are given the

7a x for 9 targets which are in
ratios I<x 2 Ia x and ip x
common
68
2.2.
X-RAYS
TABLES RELATING TO THE PRODUCTION, WAVELENGTHS AND INTENSITIES OF
TABLE
2.2.5A
Ratios of Selected Wavelengths
Values B\A in which
are wavelengths of
K* x and B wavelengths of K* lt K* 2 and
Aj8i
of the same element,
or of Ka.^ of another element.
A->
Ni^
Cu&j
Mo Kcc
AgÔC!
1-78892
1-65784
1-54051
0-70926
0-55936
1-27989
1-38109
1-48627
3-2282
4-0933
1-08220
1-16777
1-25671
2-7296
3-4610
1-07907
1-16125
2-5222
3-1982
1-07616
2-3374
2-9638
2-1720
2-7541
CrKot!
Fe#ai
Co
2-28962
1-93597
1-18267
Koc x
Wavelength
A
\B
(value in
kX)
x 1-00202
Koc 2
2-28962
2-29351
2-08480
1-00170
0-91054
1-18468
Koc x
1-93597
0-84554
Ka 2
1-93991
1-00204
APi
1-75653
0-90731
Koc 2
1-78892
1-79278
Aft
1-62075
0-72407
K* 2
1-65784
1-66169
1-50010
1-54051
0-67282
Cr
Fe
Co
Ni
Cu
Koc x
0-92404
1-00216
0-90599
0-85634
0-92673
1-00232
0-90485
0-79573
0-86114
0-92923
Ka. 2
1-54433
KfS x
1-39217
0-90371
0-30977
K* 2
0-70926
0-71354
0-63225
0-24430
KPi
0-55936
0-56378
0-49701
Loc 1
1-47635
0-64480
K0L X
Kd. 2
0-78132
1-00248
Mo
Ag
0-36636
0-39647
0-42782
0-46061
1-2680
1-00603
0-89142
0-28893
0-31268
0-33740
0-36310
0-78865
1-0079
0-8885
0-76259
0-82527
69
0-89053
0-95835
2-0815
2-6394
TABLES RELATING TO THE PRODUCTION, WAVELENGTHS AND INTENSITIES O F

X-RAYS
2.2.
TABLE
2.2.5B
Ratios of Selected (Wavelengths) 2
Values of
B jA
2
in
which
A 2 ->
K* x and B wavelengths of
or of Koc 1 of another element.
are wavelengths of
Cr Aa x
Fe Aa x
CoAa
5-2423(6)
3-7479(8)
K lt
Koc 2 ,
Aft of the same element,
NiAa x
CuAai
3-2002(3)
2-7484(3)
2-3731(7)
1-39872
1-63812
1-90740
2-20901
1-17116
1-36368
1-57931
7-4505
11-979
1-16439
1-34851
6-3617
10-228
115813
5-4635
8-7843
4-7176
7-5849
1-6078
Mo Aa
AgAai
A2
IB
(value in
kX)
0-50305
0-31288
x(l-00202) 2
Cr
Fe
Co
Ni
Cu
Mo
Ka x
5-2423(6)
Koc 2
5-2601(9)
4-3463(9)
1-00340
0-82909
Kol x
3-7479(8)
0-71494
Koc 2
3-7632(5)
Aft
3-0854(0)
Ka-y
3-2002(3)
3-2140(6)
1-00432
A-ft"
3-6268(3)
0-82082
0-85386
Kol x
2-7484(3)
2-7612(1)
1-00465
A-ft
2-2503(0)
0-81876
Aa
Aa 2
2-3849(6)
A-ft
1-9381(4)
Aa x
Aa 2
0-50305
0-50914
0-39974
009596
0-05968
Aft
0-31288
0-31785
0-24702
La x
2-1796(1)
0-41577
Aft
Ag
0-61046
Aa 2
Aa 2
Aa 2
2-3731(7)
16-755
1-00407
0-82322
Koto
10-421
0-52427
0-45269
0-73331
0-63319
0-85882
0-47156
0-86346
1-00497
0-81669
0-13422
0-15719
0-18303
0-21197
101211
0-79463
0-08348
0-09777
0-11384
0-13184
0-62197
1-0159
0-7895
0-58154
0-68108
70
0-79304
0-91844
4-3328
6-9663
...
2.2.
TABLE
common
[10]
use. The values are those of J. H. Williams

but limited to three decimal places.
K- and L-absorption Edges
2.2.7
(value in
Excitation Voltages (in
TABLE
Relative Intensities of
2.2.6
& at the Surface of the
X-absorp-
Target, for Nine Selected Target Materials
Atomic
tion edge
number (value in kX)
Element
Element
Atomic
number
x 1-00202
la. 2
I<x 1
Ifil
Co
Ni
Cu
Zn
Mo
Pd
Ag
24
26
27
28
29
30
42
46
47
0-515
0-500
0-497
0-495
0-497
0-503
0-499
0-500
0-499
Excitation
voltage
in
keV
/!
Titanium
Cr
Fe
kX) x 1-00202, and

keV)
0-179
Chromium
0-167
Manganese
0-160
0-187
0-200
0-207
0-279
0-290
0-290
Iron
Cobalt
Nickel
Copper
Zinc
Molybdenum
Rhodium
Palladium
Silver
Tungsten
Platinum
In practical application these ratios have to be corrected for differential absorption in the window of the
tube and the air path, the ratio of scattering factors for,
and differential absorption in the crystal, and for
sensitivity characteristics of the detector.
See also
Section 2.3.
'
22
24
25
26
27
28
29
30
42
45
46
47
74
78
79
Gold
2-4973
4-964
2-0701
5-989
1-8964
6.537
1-7433
7-111
1-6081
7-709
1-4880
8-331
1.3804
1-2833
9-661
8-981
0-6198
20-00
0-5338
0-5092
0-4858
23-23
0-17837
0-15816
0-15344
69-50
24-35
25-52
78-39
80-80
L-absorp-
Atomic
tion edge
number (value in kX)
x 1-00202
Element
K- and Z-absorption-edge Wavelengths and

Excitation Voltages for some Target Materials
The absorption-edge wavelengths are given in units
kX/ 1-00202. These may be taken as A to an accuracy
of 1 in 25,000 only (cf Sections 2.2.2, 2.2.3). The
excitation voltages are in keV and are calculated
directly from values of the absorption edge-wavelengths
given in kX by Cauchois and Hulubei (reference 2.2.2
[6]) using the formula K=12-372 5 /A (cf 2.2.1 (lc)).
2.2.7.
Palladium
Silver
Tungsten
Platinum
Gold
71
46
47
74
78
79
Excitation
voltage
in
keV
3-9081
3-172
3-6983
3-352
10-200
1-21545
1-07239
1-03994
11-561
11-921
REFERENCES
2.2.
References
X et des Discontinuites d'Absorption X
2.2.1
Emissions
General
(Hermann,
[1]
Compton, A. H., and Allison, S. K. X-rays in

Theory and Experiment (Van Nostrand, New
[2]
Guinier,
York,
Corrections have been

wavelengths
listed here as in X.U., whereas reference to the
Paris, 1947).
made in Tables
2.2.2, 2.2.3 to certain
original literature shows them to have been

measured in A, by the grating method.
repr. 1960).
A.
X-ray Crystallographic Technology

(Hilger and Watts, London, 1952); Theorie et
Technique de la Radiocristallographie (Dunod,
[7]
Lonsdale, K. Acta
Cryst., 3, 400, 1950.
Paris, 1956).
2.2.4
Special
[8]
[4]
Allison, S. K. Phys. Rev., 30, 245, 1927.

Jonsson, A. Z. Phys., 36, 426, 1926.
[5]
Webster, D.
[3]
L.,
and Clark, H. Phys.
Rev., (2), 9,
[9]
571, 1917.
2.2.2
[6]

Theory and Experiment, 2nd ed., p. 511 et seq.,
(Van Nostrand, New York, repr. 1960).
Walter, B.
Fortschr.
Rontgenstr., 35, 929,
1927.
and 2.2.3
2.2.6
Cauchois, Y., and Hulubei, H. Tables de Constantes

et Donnees Numeriques, I. Longueurs d'Onde des
[10]
72
Williams,
J.
H. Phys. Rev.,
44, 146, 1933.
1308,
and Crystal Monochromator Techniques
2.3. Filter
list of references though extensive is not exhaustive.

Useful techniques often unfortunately remain unpublished because they are only incidental to some other
the
2.3.1. Introduction
Most X-ray
tubes used for crystal-diffraction studies

which give a wide band
of white radiation on which is superimposed a characteristic spectrum of Kfi, Ka.^ K<x 2 lines, with perhaps
are operated under conditions
some contaminating
study.
K or L lines from target (window,
Many
2.3.1.1.
techniques preferentially require a monochromatic beam. This is

never obtainable with X-rays, since every X-ray line
has a measurable breadth, but various degrees of
etc.)
impurities.
diffraction
monochromatism
are possible using
a single
(Tables 2.3.2A, B,
(i)
filter
C and Figs.
and
In order to achieve maximum contrast on film

(Section 3.1.2) or high statistical accuracy of intensity
measurements with counter tubes (Section 3.1.3) it is
necessary to have both
2.3.1,
optimum line intensity and

(2) optimum peak/background ratio.
High incident intensity requires a tube
25-60 kV) several times greater than
(1)
2.3.2(1), 2.3.2 (2) (a, b), 2.3.2(3));

(ii)
balanced
filters
(Table 2.3. 2D and Figs. 2.3.2(1),
2.3.2 (4) (a, b), 3.1.3.7(3);

(iii)
crystal
monochromators (Table
2.3.3
and
Figs.
(v)
and 3.1.3.7 (3)). This broad continuum may have a comparatively large integrated
even relative to the very high characteristic
peaks superimposed on it. Attempts to avoid the
continuum by the use of X-ray fluorescent sources
[101] or of radioactive elements [50] have not been
successful because of the low characteristic line intensities from such source.
possible to select portions of spectral lines or of
intensity,
the continuous spectrum using special monochromator

techniques [8], but the intensities are too low for the
usual type of crystallographic measurements.

Filtering and monochromator techniques are frequently only part of a wider investigation, and hence
Upper curve.
critical
tion (Figs. 2.3.1
pulse-amplitude discrimination (Section 3.1.3).
Fig. 2.3.1.
the
increases the intensity of the continuous (white) radia-
total reflection or other special devices;
It is
voltage (say
excitation potential (Table 2.2.7). This, however, also
2.3.3 (1), 2.3.3(2), 2.3.5, 2.3.6);

(iv)
Spectral Distribution at Target Surface

as Observed
Spectrum from commercial molybdenum target sealed-off X-ray diffraction tube
kFpeak
(kFp), full-wave rectification, obtained with silicon single-crystal plate cut parallel to
(111), d=3-\35 A, Nal.Tl scintillation counter. Middle curve. Same with 0-084 mm-thick Zr filter. Lower curve.
Ka.. (P.-a.d.
of
Same obtained with Zr filter and pulse-height analyser set symmetrically to transmit 93
and Zr X-absorption edges arise from the scintillation crystal,
means pulse-amplitude discrimination). The I,
and FeK lines are from small amounts of target
X-ray-tube target and filter respectively. The WL,
contaminants. The 111, 222 ("forbidden"), 333 and 444 reflections are shown and several of the peaks are off
the chart.
operated at 50
Mo
CuK
73
Mo
2.3.
AND CRYSTAL MONOCHROMATOR TECHNIQUES
FILTER
The peak/background ratio may be drastically

changed before, during or after diffraction by a
mon use as targets were given in Table 2.2.6.
crystalline specimen.
tion required to obtain a certain
The observed
sity
diffraction spectra depend, for inten-
and wavelength
(1)
(2)
to obtain the
distribution,
first
(6)
or
optimum
K^x
/ is
â
in
l Kp
l/unfilt.
necessary
cm and ^
-P'Ka
\^7?i/filt..
is
the linear absorption coeffi-
cient of the filter for the given
3.2.2A, Fig. 2.3.2(1) for n/P

densities p of the elements).
absorption or dispersion in the X-ray tube wincrystal specimen, gas path, camera or
counter- tube window;
it is
posi-
peak or
Kol x
under the same experimental conditions. Then
where
reflecti-
In order
filter
know the unfiltered peak or integrated-intensity
/= In
conditions of effective target area

(4) presence of parasitic lines from target impurities
or contaminants and other sources [90]
filter
to
ratio
applied tube voltage and its time dependence;

atomic number of target element;
absorption characteristics of the

vity of the monochromator used
thickness and
integrated-intensity ratio at the detector,
on
(3) surface
(5)
filter
wavelength (see Table

and Table 2.1.4 for
dow,
factors and structure of diffracting

specimen and sometimes unavoidably of its container or other parts of the apparatus (Section
(7) scattering
1.4);
(8) fluorescence
from the specimen and other un-
avoidable sources;
of the detector system, including photographic processing (Section 3.1);
(9) spectral sensitivity
(10)
geometry of camera or diffractometer method

employed, together with time and temperature
factors involved in recording observations.
Ratios of observed peak intensities for K^JKoc^

etc., differ from those of integrated intensities [16],
because the breadths of characteristic lines vary from
one line and element to another [9] and vary also with
the diffraction method employed (powder, singlecrystal rotation, divergent-beam, etc.; see Vol. II,
Table
In
4.1.1).
Figs.
2.3.1
distributions are
and
3.1.3.7 (3)
shown
for
Mo
observed spectral
targets under
and Cu
the various conditions stated in the legends.
Techniques
2.3.2. Filter
2.3.2.1.
Single Filters
A single filter made of, or containing, an element

which has an absorption edge of wavelength just less
than that of the A'a 1 a 2 doublet will absorb part of
that doublet but much more of the Kfi line and a good
part of the white radiation of all wavelengths.
The relative transmission throughout the spectrum
depends on the/u(A) distribution and upon t, the thickness of the filter. The object of filtering, however, is to
obtain an optimum effect at the measuring device
(photographic film, counter, etc.), and the distribution
of intensity before and after diffraction by the crystalline
specimen has to be taken into account in deciding the
best position of the filter [102].
Cu Co
Mo
ill
WLlNilFe
H
1-5
,li
ill
20
CtK*
il
3-0 A (A)
Cu/MriV/
2.3.2.1.1.
The
NiFeCrTi
Kp/Ka. Intensity Ratio
Ka. z
K<x x
and
KfS x
Ka. x
Fig. 2.3.2 (1).
integrated-intensity
ratios at the target surface for nine elements in
Mass absorption
mon filter elements
com74
coefficients of
as a function of wavelength.
com-
2.3.
2A
FILTER AND CRYSTAL
MONOCHROMATOR TECHNIQUES
Use of Filters
may be used to modify the X-ray spectral
A
distribution by suppressing certain radiations for any
the calculated thicknesses of jS

Ka x integratedfilters required to reduce the Kp t
intensity ratio, as given in Table 2.2.6., to 1/100 and
Table
2.3.
2.3.2.1.2.
lists
filter
'500 for seven
common
of several reasons
targets.
Tabic 2.3.2B gives some typical data observed with

various Zr filter thicknesses for peak intensities of Mo
1.
and K. x lines generated at 35 kV peak, using the

333 of an Si single crystal and scintillation counter
without pulse-amplitude discrimination.
Table 2.3.2C gives similar observed peak intensities
Kfl
for Ni filters
brass
and
filter
CuK^
and
K<x x
has been used to isolate
Wla
[53];
various types of vanadium filters have been used for

CrX filtering [1], and a number of filter materials have
been considered for very long wavelengths [124]. The
L-absorption edges of high-atomic-number elements
have been used for filtering purposes, but the high
Target
element
need be reduced only
line.
Contaminant Lines. Lines arising from an element other than the pure target element may be
absorbed. For example, a Ni filter is an ideal absorber
spectrum (Fig. 3.1.3:7 (3a, b)).
for the
WL
Target Elements to give
2.3.2A
Two
mil=0001
(1
intensity
3.
TABLE
Common
/S-line
length side of the
only a portion of the film to facilitate the identification

of the /3-lines.
for Seven
lines.
grated line intensities when using filters because the

.^-absorption edge of the filter may cause an abrupt
change in the background level on the short-wave-
absorption of these filters causes a large reduction of

the Ka. intensity.
If the filter is to be placed between the X-ray tube
and specimen the filter should be close to the tube to
avoid diffraction from the filter which might be
recorded. It is sometimes useful to place the filter over
^-filters
j8
enough to avoid overlaps and difficulties in identification in powder work. In single-crystal work the large
peak intensities may require a larger reduction of the
if so desired.
j8 lines, which may be virtually eliminated
2. Continuum. The continuum is reduced by the
filter but by no means eliminated (see Figs. 2.3.1 and
3.1.3.7 (3)). The greatest reduction occurs for those
wavelengths just below the /^-absorption edge of the
filter. The reduction of the continuum appears greater
for Mo than for Cu and lower-atomic- number targets
because the Mo if lines occur near the peak of the
continuum. Care must be taken in measuring inte-
Different Integrated-intensity Ratios for

in.)
%loss
1/100
KpjKo^
1/500
mm
%loss
mm
mils
g/cm
Pd
0-062
2-4
0-074
60
0-092
3-6
0110
74
Rh
0-062
2-4
0-077
59
0-092
3-6
0114
73
Mo
Zr
0-081
3-2
0053
57
0-120
4-7
0-078
71
Cu
Ni
0-015
0-6
0013
45
0023
0-9
0020
60
Ni
Co
0013
0-5
0011
42
0-020
0-8
0-017
57
Co
Fe
0012
0-5
0009
39
0019
0-7
0015
54
Fe
Mn
0-011
0-4
0-008
38
0018
0-7
0013
53
0-027
1-1
0-012
43
0-042
1-7
0019
0-026
1-0
0-013
45
0-042
1-6
0-021
61
0-011
0-4
0-007
37
0-017
0-7
0010
51
v 2o 5
0-036
1-4
0-012
48
0-056
2-2
0019
64
Ag
jS-filter
Mn O
2
Mn0
Cr
75
mils
g/cm 2
59
2.3.
FILTER
TABLE
Effect of
Zr
Zr
Filters
Effect
filter
mils*
intensity
Unfiltered
JT)8 X
Intensities
on
MoK$
100
Relative
peak
100-0
(Aft/to^
Percentage
reduction
intensity
29-4
29-4
0-028
11
75-6
24-4
8-1
72-4
10-7
0-056
2-2
59-2
40-8
2-1
92-8
3-5
0-084
3-3
45-2
54-8
0-6
98-1
1-3
0-112
4-4
33-9
661
0-2
99-4
0-6
Effect of
Ni
Ni
Effect
mil =0-001 inch.
TABLE 2.3.2C
Filters on CuK^ and
on
JSTft
Intensities
on
CuATft
Relative
mm
Peak
Effect
filter
thickness
peak
mils"
intensity
Relative
_,
Percentage
reduction
peak
intensity
1000
Unfiltered
100
_,
(Wî)peak
Percentage
reduction
21-4
21-4
0-008
0-3
75-5
24-5
4-1
95-9
5-4
0013
0-5
660
34-0
1-9
98-1
2-9
0-018
0-7
55-0
45-0
0-6
99-4
1-1
0025
1-0
41-4
59-6
01
99-9
0-2
4.
Peak
Effect
Percentage
reduction
peak
and
Relative
mm
2.3.2B
MoK^
on
Mo Ka
thickness
on
X-ray Fluorescence. The continuum,
mil = 0001 inch.
background.
line spec-
If placed
between the X-ray tube and
trum or both cause all specimens to fluoresce, that is,

to produce the K and L line spectra characteristic of the
attenuate a portion of the

primary spectrum just below the absorption edges of
The longer-wavelength
A) are usually absorbed
in the air path or counter-tube window and hence are
not observed. When using vacuum, hydrogen- or
helium-path instruments and low-absorbing counter-
the elements in the specimen, thereby reducing the

intensity of the fluorescence. When placed between
the specimen and counter tube the filter may absorb
elements in the specimen
specimen, the
[99].
fluorescence spectra (A> 2-75
tube
may
may
some of the fluorescence from the specimen. The

choice of position will depend on the elements of the
X-ray tube target and specimen (Figs. 2.3.2 (2a, b)).
If possible the X-ray tube target element should be
chosen so that its filter also has a high absorption for
the specimen X-ray fluorescence. For example, using
windows, the longer-wavelength fluorescence
spectra
filter
appear.
When
specimen fluorescence is present, the position

of the beta filter may have a marked effect on the
76
2.3.
FILTER AND CRYSTAL
mination and specimens whose X-ray fluorescence is
weak, the background is largely due to characteristicline radiation. The yS-filter then usually reduces the
background and the Ka. radiation by roughly the same
amount and P/B is not changed markedly regardless
lO-i
RS
DS
RS
DS
of the position of the

7-
filter
(Fig. 2.3.2 (3)).
-i
10
CuAfa
5-
3 -
6 -
JL
570
59-5
570
46
43
59-5
Tungsten
(a)
CuKac
JL_ JL.
(b)
43
46
4 -
Nickel
Diffractometer recordings of
filter placed over divergence slit
(DS, between X-ray tube and specimen) gives five times
higher background than when placed over receiving slit
(RS, between specimen and counter tube) because Ni
fluorescence
filter absorbs a large fraction of the
Fig.
2.3.2 (2a).
powder 200
Ni
line.
CuKjS
2 -
WL
caused by the continuum.
Diffractometer recordings of Ni
Ni filter placed on DS gives about
half the background obtained when placed on RS
because it removes the CuKfi line which causes strong
Ni/^ fluorescence (CuK radiation, 40k Vp, scintillation
2.3.2 (2b).
Fig.
powder
line.
1 1 1
Cu
target
large
CuK
Fig.
if
is
filter;
Co
target
is
greatly decreased
When
Diffractometer
recordings
of Si
discrimination.)
Ultraviolet and Visible Radiations. The beta filter
be placed between specimen and film, instead of
black paper or Al foil, to screen out non-X-ray
6.
may
fluorescence and other radiation.
tion edge, A=l-28 A).

5. X-ray Scattering. X-ray background is caused by
scattering of the entire primary spectrum with varying
efficiency by the specimen. The filter reduces the background by an amount dependent on its absorption
characteristics.
2.3.2 (3).
powder 111 line, (a) Unfiltered, (b) with 0-018 mmthick Ni filter placed over RS. CuKp greatly reduced,
CuKa. decreased by factor of about two, and small
improvement in P/B because of removal of all of KfS
and half of Ka from background. (C\xK radiation,
40 kFpeak, scintillation counter with pulse-amplitude
used instead, the CuK

by an FeA)3 filter.
A second filter may be useful in reducing fluorescence background. For example, using a Ge specimen,
the continuum from a Cu target causes strong GqK
fluorescence which a Ni filter transmits. Addition of
a thin Zn filter improves the peak/background ratio
(P/B) of the CuKa. with only a small reduction of peak
intensity (for GeKoc, A=l-25 A; for the Zn#-absorp-
Ni
24-5
()
and Cu specimen, the continuum causes a

fluorescence which is transmitted by a
fluorescence
30
24
counter with pulse-amplitude discrimination).
2.3.2.1.3. Preparation
Many
filters
are
of Filters
now
[43] [86] [87] [1]
available commercially (see
current edition of I.U.Cr. Index of Crystallographic

Supplies). Occasionally filters of special specifications
are required and various methods of preparation are
using pulse-amplitude discri-
77
FILTER AND CRYSTAL
2.3.
outlined below. All filters should be inspected with a

bright light to ensure freedom from pinholes, cracks,
etc. The undesirable effects of pinholes may sometimes be reduced by using a pair of thinner filters, but
this is not a valid remedy when intensities are impor-
If paper is used as a substrate its absorption

should first be measured. The absorption of different
papers varies over relatively wide limits.
tant.
The
1.
ideal Kfi filter consists of the pure element
rolled to a thin foil [116].
Thin sheets of non-ductile metals may be obtained

by mechanical polishing or shaping with dilute acid
2.
solvents.
In either rolling or polishing great care
must be taken
to avoid contamination
(e.g. iron) rolls
or from the abrasive agent.
The element may sometimes be
3.
from the
electroplated [141]
or otherwise deposited in a thin film of the right

thickness on to aluminium or other foil that can
subsequently be dissolved or stripped away.
A brittle element, such as Mn or Y, can be ground
4.
in
an agate mortar to a
fine
powder and made
into
a film with collodion or another adhesive
[81]
Correct thickness must be found by
trial
[120].
and
A
&>
/A
jsr
Zr'
s**1
error.
is
unsuitable, a
compound of
0-3
the filtering element with others of low atomic

(e.g. the oxide) is spread on a piece of
shellac
suspended
or
in
block, which is afterwards cut to the

required thickness [105]; or coated on to thin
cellophane [140] or Be foil [102].
The compound may be mixed with beeswax and

pressed between two rock salt cleavage surfaces at
50 C; the rock salt
is
tween spaced glass plates
two
distribution of wavelengths
on
first
(4),
by a zirconium metal
filter,
Mo
tube
which
is
is
more
is,
to the K<x x
ot.
wavelengths.
shown in Fig.
form of actual diffractometer traces.
sophisticated example
3.1.3.7 (3), in the
is
These also illustrate the advantage of using pulseamplitude discrimination.

Table 2. 3. 2D gives the calculated thicknesses of
filter pairs for commonly-used X-ray target metals.
The filters are all assumed to be in metal-foil form.
Slight corrections need to be made if oxides are used.
The (A) filter thickness is chosen to attenuate the
#a x a 2 to 67 % of the incident intensity. For precise
measurements the filters should be finally adjusted for
balance by experimental methods.
Note, however, that although the two filters may
have the same absorption at the KfS wavelength, they
are not exactly balanced at other wavelengths.
example is shown
where the intensity
from a
also Fig. 3.1.3.7(3)).
edges, essentially, that
uses a combina-
of proper thickness with absorption

edges lying just above and just below the Kolô.^ wave-
An
Diagrammatic representation of the

from a Mo target
(ii) with Zr filter, (iii) with an Sr filter
difference between intensities observed on two

X-ray photographs or two diffractometer traces taken
with the filters in turn can thus be attributed to the
narrow band of wavelengths between absorption
filters
lengths [114] [115] [116] [88].

diagrammatically in Fig. 2.3.2
10
the A'a 1 a 2 wavelengths (shaded area in Fig. 2.3.2 (4a)).
2.3.2.2.
tion of
0-9
The
[83].
Balanced Filters
The Ross balanced-filter technique
0-8
the absorption edges (Fig. 2.3.2 (4b)), which include
dissolved away.
The compound may be kneaded uniformly into

high-melting-point paraffin wax and pressed be-
8.
0-7
Fig. 2.3.2 (4b). Mass absorption coefficients of Zr and

Sr as a function of wavelength.
may
7.
paper
unfiltered,
(i)
(cf.
be soaked in a solution
of the compound and then dried [1].
filter
0-6
intensity distribution of X-rays
paraffin
Chemical
0-5
Fig. 2.3.2 (4a).
6.
04
Wavelength (A)
number
paper coated with
"
\
If the element itself
5.
(b)
A<-'
100
acted
chosen to
reduce the Ka x a 2 intensity to two-thirds of the incident

value and also greatly to attenuate the A)8 intensity
(Fig. 2.3.2 (4a)).
strontium metal (or, better,
yttrium, if available) filter is then adjusted in thickness
so that attenuation of the Kfi wavelength is identical
with that calculated for the zirconium filter. The two
filters then attenuate all the wavelengths in the distribution to nearly the same extent, except those between
78
2.3.
FILTER AND CRYSTAL
MONOCHROM ATOR TECHNIQUES
TABLE
2.3.2D
Calculated Thickness of Ross-filter Components for Commonly-used Radiations
Target
(A)
Thickness
Filter pair
material
(A)
(B)
Ag
Pd
Mo
Mo
Mo
Sr
Cu
Zr
Zr
Ni
Ni
Co
Fe
Co
Fe
Mn
Fe
Cr
Mn
Cr
Ti
mm
mils*
g/cm 2
mm
1-08
0-033
1-54
0-026
0-026
0-0089
0-0083
0-0077
0-0071
0-0059
0-0275
0-0392
0-0392
0-0100
0-0094
0-0098
0-0095
0-0097
Co
1-54
0-38
0-37
0-38
0-37
0-38
mil=0001
to
eliminate certain errors.
mils*
g/cm 2
0-039
1-53
0-040
0-104
4-09
0-027
0-063
2-49
0-028
0-0108
0-0113
0-0111
0-0107
0-0146
0-42
0-0095
0-0089
0-0083
0-0077
0-0066
0-45
0-44
0-42
0-58
inch.
although certain crystals such as CaF 2 and diamond

having low second-order intensity of the monochromating reflection may be used, together with a
tube potential too low to excite higher harmonics.
Unfortunately the intensities obtained by this mechanism are low and thus long exposure times are
required. An alternative technique is to use, in addi-
Counter-tube measurements are useful to check the

balance at several wavelengths.
Fig. 2.3.2 (1) or Tables 2.2.2 and 3.2.2A can also be
used for the selection of suitable filter pairs.
careful analysis of the Ross balanced-filter technique has been made by Kirkpatrick [82] [84]. Kirkpatrick and Chang [85] have suggested a four-filter
method
(B)
Thickness
tion to a
triple-filter
scheme was used by Wollan [139]. Soules, Gordon

and Shaw [122] discuss the design of balanced filters
and methods for arriving at optimum filter thicknesses.
which
quired.
is
j8
filter
or crystal monochromator, a detector
sensitive only to the
wavelength range
See Section 3.1.3, and also Arndt
re-
(in Peiser
In general, longer counting

times or larger statistical errors must be allowed in any
method involving differences between measured
Chap. 7), who gives more complete details

and a good bibliography.
The characteristics of various monocrystals which
are often used to obtain monochromatic X-ray beams
intensities.
are listed in Table 2.3.3.
et al. [104],
Statistical Accuracy.
Comparison of Single- and Multiple-filter Techniques.
The monochromator
single filter effectively but only partially eliminates
surface of side
crystal
from 2 to 10
may have
unwanted wavelengths, while the use of Ross balanced
in thickness.
a final diffraction pattern which is essendue to a narrow wavelength band, which need
not be that which includes the Ka l a 2 spectrum.
crystals should be mechanically strong
tially
Instead, other characteristic wavelengths or a portion

of the white radiation spectrum could be isolated by
method.
isolated by balanced filters is

considerably greater than that given by a crystal
monochromator.
The same considerations apply
as in
Section 2.3.2.1.
Flat Monochromators
2.3.3. Crystal
2.3.3.1.
and
able to
withstand prolonged exposure to X-rays and to the

atmosphere without deteriorating. Furnas [55] found
that mica would become unusable after exposure to
direct radiation from the X-ray tube in about 200
hours. Short heat treatment after this irradiation
period would induce partial recovery. However, it
was found more practicable to replace the crystal than
to remove and treat it regularly. General experience
with pentaerythritol crystals has indicated that a collimated direct X-ray beam will in about 100 hours cause
breakdown of the structure with broadening and
general loss of intensity and parallelism of the reflected
beam. When possible it is preferable to use a reflection
with a small Bragg angle in order to keep the polariza-
The wavelength band
Filter Position.
Planes of high scattering intensity are

fortunately usually found to be parallel to natural
faces or to cleavage surfaces.
Monochromator
filters yields
this
a usable
mm and be roughly mm
A monocrystal
with one face cut parallel to a major

of crystal planes is often used in the Bragg reflecting
position to obtain a monochromatic X-ray beam.
Contamination by Xjn harmonics is usually present,
set
tion-factor loss to a
The
79
minimum.
properties of monochromating crystal materials
FILTER
2.3.
60
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X!

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4)
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60
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"rt
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60
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oo oo
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c
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o
oo
c
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u
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CS
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01
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.=
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FILTER
2.3.
may vary
strongly
several samples
from specimen
may have
to specimen, so that
to be tried to obtain opti-
mum
performance. The preparation of the crystal

is exceedingly important for obtaining a good
intensity of the diffracted beam [77].
Figure 2.3.3 (la) shows the flat-crystal geometry.
surface
The beam
is nearly parallel after reflection and thus is

limited by the cross-section of the camera collimation
system.
The
polarization
correction
Fankuchen
crystal-mono-
for
chromated X-radiation has been studied by Azaroff

[4].
Experience with pentaerythritol crystals
scribed by
Donnay and Fankuchen
is
deSource
and the
Wrightson
method of preparation by Whetstone [132].

and Fankuchen [143] used pentaerythritol with
modern X-ray equipment.
The details and mechanism- of mounting a small
adjustable flat-crystal monochromator have been
described by Fortey and Cohen [51].
Gay, Hirsch and Kellar [56], who studied the surface properties and preparation of LiF crystals, con-
Source
Focus
Focus
clude that these are excellent for selecting a given

wavelength with high efficiency. They describe the
effects of abrasion on the scattered intensity.
Maloof
[96]
[37]
Johann
Cauchois
R = Focal circle radius

27?= Radius of bending
C= Caustic (error) circle radius
has designed a double-crystal spectro-
meter in which the monochromator crystals are silicon

and germanium. For a monochromatic beam of long
wavelength, crystals with large spacing, such as palumina, sucrose and mica, are needed (Pauling and
Bjorkeson [103]). Shenfil, Danielson and DuMond
[119] suggest that topaz would have good reflecting
powers if certain small-angle reflections were used to
reduce polarization losses. Ingelstam [75] compared
the intensities obtained from topaz and quartz
(')
crystals in several orders.
Renninger [107] [108] calculated and tabulated the

beam from both
ideal and mosaic crystals. Faessler and Kupferle [48]
measured the diffracted intensities for various reflecting planes on a large group of common crystals. An
example of data obtainable with a flat monochromator
crystal has been given by Warren [126].
expected intensities of the reflected
2.3.3.2.
Logarithmic spiral
DeBroglie
Barraud
Source
TlLTED-SURFACE MONOCHROMATORS
shows how the width of the X-ray

foreshortened by cutting the crystal
surface at an angle to the major set of planes used in
Fig. 2.3.3 (lb)
beam may be
diffraction.
Fankuchen
[49],
who
described
this
arrangement, suggested that possibly a threefold concentration of the beam intensity could be obtained.
However, Bozorth and Haworth
maximum
twofold
when
[15]
the diffracted
Focus
showed that the
intensity increase theoretically possible
this increase
Focus
Source
DuMond
and Kirkpatrick
Johansson
is
beam
is
R= Focal
parallel to the cut surface
increase
and Kirkpatrick
was about
1-5-1-7.
The
circle radius
2R = Radius of bending
of the crystal so that the angle a in Fig. 2.3.3 (lb) is

equal to 0, the Bragg angle. However, Evans, Hirsch
and Kellar [47] found from experiment that the maxi-
mum
DuMond
can theoretically be obtained only
C= Caustic
Fig. 2.3.3 (1).
increase of
Types of crystal monochromators for

beams.
parallel or focused
81
(error) circle radius
2.3.
FILTER
Fankuchen-cut crystal is
important in the cases where a parallel beam of monochromatic radiation is necessary, because the exposure
times required are reduced in direct proportion.
intensity obtained with the
2.3.3.3.
given by the work of Cowley [30], in which

beam is focused by a bent plate of quartz
(lOTl) on to the surface of the monocrystal under
study. The beam diffracted from the sample surface
then diverges and is measured in a Geiger counter with
crystals
wide slits. Sufficient monochromatic intensity has

been thus obtained to measure accurately the weak
diffuse scattering due to short-range order effects,
temperature diffuse scattering and Compton scattering. Second-order contamination was eliminated by
Singly-bent Monochromators
We now consider crystals which have been singly

bent to a cylindrical surface without further shaping of
the surface. In 1914 de Broglie and Lindemann [19]
and Rohmann [110] bent a sheet of mica into a
cylinder on which the X-ray beam was allowed to
impinge in a plane perpendicular to the cylinder axis.
By registering the many diffracted beams on a photographic plate they could deduce the relative intensity
and wavelengths of the components of the incident
beam. Gorton [58] also used this method of obtaining
monochromatic beams.
Dardord [32] bent a mica sheet so that a single
wavelength originating from a point was roughly
focused at a point. Johann [78] then built a reflection-
filters.
Tiedema [123] has described the preparation of

aluminium monocrystals for bent-crystal use. The
monocrystal is grown into strip form and then
annealed and shaped by deformation to the proper
Hall [67] has suggested that a cold-rolled
of copper (200 reflection) be used for a curved
curvature.
strip
monochromator.
Warren [127] has devised a scheme to prepare
brittle or hard monochromator materials for focusing.
He
glued a thin sheet of fluorite to a thin metal plate

in order to
obtain the proper curvature. Since the fluorite crystal
was bent beyond the elastic limit it was segmented but
which was then pressed to a curved surface
type curved-crystal monochromator as illustrated in

Fig. 2.3.3 (lc). The bent crystal, bending radius 2R, is
arranged tangentially to the focusing circle of radius

R. The cylindrical geometry permits the use of an
extended line source and focus, both parallel to the
cylinder axis. The figure shows diagrammatically the
origin of the focusing errors in the plane of the
monochromator. Since the crystal planes are not
always tangential to the focusing circle, as required
for perfect focusing, the source may lose definition
and the subsequent focus will have a definite width
which is dependent on the length of the monochromator and the position of the source and focus on
the focusing circle. The caustic circle has radius C
and is that circle to which all X-rays diffracted from
the monocrystal are tangential.
The increase of intensity given by such a focusing
crystal is obtained at the expense of an increase in the
divergence of the monochromatic beam. The special
schemes needed to use this type of monochromatic
beam will be described later. Azaroff [5] discusses the
retained the proper geometry by this method.
Wooster,
Ramachandran and Lang
[142]
have
designed an adjustable bent monochromator, using a

quartz monocrystal. Their scheme requires the application of equal and opposite moments to the ends of
the crystal. The magnitude of the moments is variable,
and thus the cylindrical curvature of the crystals may
be varied to accommodate different wavelengths with
the same monochromating device. At the focus they
obtained beams of about 30 seconds half-width.
In Fig. 2.3.3 (Id) is illustrated the singly-bent crystal
used in transmission (Cauchois [21] [22]). As the figure
shows, the source is virtual and convergent. It has the
same type of focusing error as is inherent in the
Johann arrangement. An extended source or a line
source in the focal plane and lengthwise across the
face of the transmission crystal is most appropriate to
arrangement. This focusing monochromator was

first used in spectroscopy but has been useful in
diffraction studies also. Cauchois [25] describes a
camera using a bent mica crystal, and Hulubei and
Cauchois [74] used a similar camera for the study of
Mo X-ray spectra and certain y rays. The use of
this
polarization corrections required.
by the distortion in bent

have been studied by Laval [92] and
by Lind, West and DuMond [94]. Brogren [18] studied
The
is
the incident
errors introduced
crystals of quartz
widths for the singly-bent crystal monochromator

used with a spectrometer. To a first approximation the
elastic distortion of the structure compensates for the
errors introduced by diffraction from within the
crystal to points which by necessity are not on the
line
gypsum
Watson
is
discussed by Cauchois [26].
and Watson
quartz monochromator in
DuMond
and
mm
have used a bentthis configuration with

thickness. Edwards et al. [44] used
plates of 0-21
both mica and quartz monochromators with a
Cauchois spectrograph arrangement to study artificial
cm, in spectrometric
experiments. Ingelstam [76] also used the Johann
reflection technique in the range of 1-2-5 A.
An example of the use of a Johann-bent crystal for
radioactive sources. (See also [14] [13].)

Studies of the errors and details of this geometry
have been made by Cauchois [22] [26] and" Carlsson
the
[20]. The errors associated with the distortion of
focusing
[1
17] used a thin
gypsum
sheet (0-02
thick), bent to a radius of 50
the study of diffuse scattering
[130]
mm
circle.
Sandstrom
[39]
from large metal mono-
crystal plates in
82
bending are discussed by
DuMond
2.3.
FILTER AND CRYSTAL
crystal plate
by couples (opposite moments at the ends). It consists

of preparing an unstressed cylindrical plate of radius
2R and uniform section. By elastic bending the exact
effect in depth.
radius
[40],
who
found, using quartz 310, that the continuous

on the inner surface of the
variation of compression
compensates precisely for the scattering

Hirsh [72] found a splitting of the
lines on a Cauchois spectrograph and deduced that
this was due to the uneven bending in the quartz plate.
Cauchois [23] discussed the obtainable resolution and
the variation of resolution with change in wavelengths.
The use of a Cauchois-bent crystal in transmission
would yield a converging monochromatic beam (except for harmonics) and would differ little from the
Johann crystal arrangement. The major differences
lie in the loss of intensity due to transmission of the
beam through the monocrystal and the applicability to
extended sources without using slits.
In Fig. 2.3.3 (\e) is shown the arrangement for the
use of the logarithmic-spiral monochromator form as
first suggested by de Broglie and Lindemann [19]. (See
also Barraud [7].) de Wolff [137] [138] designed a
logarithmic spiral of bent quartz with fine scale adjustment, the advantages of which are (i) possible application to several wavelengths by adjustment (ii) simpli-
et al.
most
stringently.
[31] describe the preparation
of
method of generating circular cylindrical surfaces

of very large radius of curvature for use in curvedcrystal spectrometry.
Guinier [63] usefully modified the method by
arranging the diffracting planes at an angle a to the
sion
surface of the
monochromating
crystal.
This permits
shortening of the distance D x from the X-ray source

to the centre of the monochromator crystal, while the
distance
2 from the centre of the monochromating
crystal to the focus may be lengthened to accommodate experimental apparatus of large radius. Here,
D 1 =27?sin(6'-a) and 2 =2R sin (0+a). Berthelot,
and Rose [111] have published

extensive charts which give D l and D 2 directly as
functions of a and 2R. These are suitable for preparing quartz monochromators with (lOll) planes
(spacing 3-3362 kX). Two Johansson crystals were
used in sequence by Guinier and Fournet [64] to
obtain low-background data. Their final intensity was
10~ 5 of the direct beam.
The errors inherent in the Cauchois bent-crystal
method may be similarly removed by both bending
and grinding a crystal to the proper geometry (DuMond and Kirkpatrick [38]). (See Fig. 2.3.3 (lg)).
Rerat and Rose
mechanism.
Bent and Ground Monochromators

The aberrations present in the Johann-type arrangement were removed by the design suggested by DuMond and Kirkpatrick [38] and constructed by
Johansson [79] [80] (Fig. 2.3.3 (1/)). The reflecting
2.3.3.4.
planes are bent to radius 2R, while the effective

scattering surface of the crystal is shaped to fall on the
all
obtainable, so that the geometric condi-
aluminium crystals for the Johansson scheme. DuMond, Lind and Cohen [41] have developed a preci-
and designing the holding
focusing circle of radius R. Thus
is
Cummings
city in preparing the crystal
tions can be satisfied
[12]
X-rays lying in
Point-focus Monochromators
the plane perpendicular to the axis of the cylindrical
2.3.3.5.
crystal
which pass through the point of the source will

converge precisely at the focus. The only difficulty
involves the preparation of the bent and ground
In 1918 Dershem [33] suggested obtaining a point

focus by the use of a monochromator crystal in the
form of the logarithmic spiral made by revolution
crystal.
about a
Bozorth and Haworth [15] designed a bent and

ground crystal of rock salt which showed an intensity
Dersham and Dozier [34] used sodium chloride to

show that a large fraction of the incident beam could
be brought to a rough point focus. Arkharow [3]
flat rock-salt crystal. The

deformed between plates in
saturated saline. Aluminium monochromators have
been used in this arrangement by Cauchois et al. [28].
They compared Johansson-type monochromators of
aluminium and mica, using MoA'a radiation. The
ratio observed was 1442 to 82 counting units respectively for crystals of about the same thickness. For
CxxKa. radiation, the aluminium monochromator gave
3813 counting units as compared with 159 for the
mica. Guinier [61] used a bent and ground quartz
crystal with 2R= 50 cm, 0-5
thick, in studies of
increase 30 times that of a
rock
salt
was
mm
to radius
2R and then
The usual
to bend
is
lap or grind, or possibly etch, a
cylindrical surface of radius
R on
to
it.
Furnas
between the X-ray source and the focus.
suggested a concave surface of revolution for focusing

purposes and Hagg and Karlsson [66] constructed such
a monochromator from an aluminium crystal for use
with powder cameras. Hamos [68] and Van Den Berg
and Brinkman [125] considered the focusing properties of a long cylinder. The former carried out experimental observations with plastically deformed rock
salt and the latter used mica. Andrews [2] applied
barium copper stearate (cf. Lemasson [93]) to a concave spherical surface in order to focus long- wavelength X-rays (>10 A) on a spectrometer. Wilsdorf
[133] prepared a plastically deformed rock-salt crystal
in the doubly-bent form to obtain a point focus.
After long study of diffuse X-ray scattering effects
with singly-bent monochromators, Warren [128]
designed an approximate point-focusing monochromator with double-cylindrical curvature made up
plastically
small-angle scattering.
Preparation of Bent and Ground Crystals.
manner of preparing a constrained crystal
line
[54]
describes a preferred technique for elastic crystals bent
83
2.3.
FILTER
AND CRYSTAL MONOCHROM ATOR TECHNIQUES
of seven segments of LiF monocrystals all tilted

with respect to one another. He obtained
roughly a 15-fold increase over a bent quartz crystal
atomic planes without undue stress or distortion of the

quartz plate, since its final external shape was only
that of a simple cylinder. The quartz plate thus prepared reduced times of exposure 200-fold as compared
with photographs taken by the older pinhole methods.
A two-crystal monochromator for point focus and
for small-angle studies was first designed by DuMond
[42]. Two quartz crystals with (310) faces were ground
and bent for the Johansson arrangement and then
carefully aligned with their axes of bending orthogonal
as shown in Fig. 2.3.3 (2b). Shenfil, Danielson and
DuMond [1 19], using singly-bent crystals with (101) or
(100) planes parallel to the faces, were able to measure
diameters of carbon-black and latex particles to great
slightly
same volume in reciprocal space.

Chipman
improved on this construction and obtained
intensities 40 times those from a singly-bent LiF
crystal. Considerable divergence from the point focus
for the
[29]
could be tolerated, since diffuse scattering effects are

slowly varying intensity functions in reciprocal space.
Despujols [35] prepared a continuously doubly-bent
crystal of
aluminium 1 mm in thickness and 2 cm on

and obtained good results with copper
the largest side,
and cobalt
neat
radiation.
method of shaping a quartz
plate in the
doubly-bent configuration has been reported by

Berreman, DuMond and Marmier [11] and Berreman
[10] (Fig. 2.3.3 (2a)). They took a plate of quartz with
the (052) plane parallel to the surface. This plate was
bent to a radius i?j and its surface then ground to a
plane. This was held flat while the back was finished
parallel to it. This plane but stressed plate was then
placed on a steel block whose cylindrical curvature R 2
was perpendicular to the unstressed curvature i? x of
the quartz. By pulling a rough vacuum through a hole
in the centre of the steel block, atmospheric pressure
on the front of the crystal forced it on to the curved
steel block. The edges of the quartz plate were sealed
with wax to the steel block. In this way they were able
to obtain and maintain a double curvature of the
accuracy. Rose and Barraud [112] [113] describe a

point-focusing monochromator consisting of two
orthogonal Johann crystals of quartz (lOTl).

Furnas [54] [55] constructed two types of pointfocusing double monochromators (illustrated in Figs.
and (2d)) and describes six

The publications should be referred
2.3.3 (2c)
possible types.
to for further
details.
2.3.4. Special
Total reflection
and
DuMond
is
discussed extensively by
Ehrenberg
Henke
and Ehrenberg and

Franks [46] used a singly-bent optical flat to obtain an
approximately monochromatic beam. They demonstrated the possibilities of the method by observing a
640 A small-angle reflection from kangaroo tendon.
Henke and DuMond [70] [71] used the beam from
a point source, which diverged to the inner surface of
an annular mirror (3-8 cm diameter, ground from
Pyrex glass) and was totally reflected. After passing
through a circular slit in front of which the sample was
[71].
[45]
mounted
in thin sheet form, it reached the detecting

X-ray film. The wavelengths used are very long, e.g.
CuLoc (13-3 A). Montel [97] has considered the use
of total reflection to confine radiation to certain wavelengths in a polychromatic beam. Franks [52] used
total reflection with one or two elastically bent optical
monochromated long-wavecould resolve spacings >1000 A.

Fluorescence radiation was used by Weiss, DeMarco
and Weremchuk [131] in studying iron samples.
General use is not likely because of low intensity
unless powerful X-ray tubes are available [101].
Rogers [109] has studied the factors governing intensity and monochromatism of fluorescence X-radiation.
The proportional counter. An advantage of this
method of monochromating the beam is that secondorder contamination can be reduced to a negligible
amount without undue loss of counting efficiency
(Parrish and Kohler [100]).
A focusing divergent-beam monochromator has been
described by Grenville-Wells [59]. A wide-angle X-ray
tube delivers a beam of CuKoc radiation over a solid
flats to
obtain a partially
length beam.
(a)
(c)
Fig. 2.3.3 (2).
(d)
Some
schemes,
(a) after
DuMond
[42]
and
point-focusing
Berreman
(c,
monochromator
et al. [10] [11], (b) after
d) after Furnas [54] [55].
84
He
2.3.
angle of
2tt
FILTER AND CRYSTAL
into a spherical cavity
which
is
ment
lined with
Fig. 2.3.5(a) for small-angle powder-diffraction
and that given
from 45
Cu (311) planes arranged tangentially to the spherical

surface. The Bragg angle is 45 5', hence all reflected
studies
radiation will focus to a point at the opposite end of

the diameter from the X-ray tube source. This mono-
the intermediate arrangement shown in Fig. 2.3.5(c) is

possible. Guinier-type cameras give powder patterns
chromator would be useful in studying absorption and
with sharp diffraction lines and without extraneous

blackening from white radiation, except for second
orders, in times comparable with the normal DebyeScherrer photographic method using a j8 filter. Therefore, in studies of complex structures where weak lines
and relative intensities are important, the focusing-
to 90.
extinction quantitatively in monocrystals.
The Mossbauer effect [98] yields the narrowest

monochromatic X-ray beams known. Unfortunately,
present intensities are low.
2.3.5.
Camera Techniques
using
Monochromators
type camera
Because of non-parallelism of the beam associated

with focusing monochromators, the geometry and
arrangement of powder cameras with which they are
used has had to be changed. Cauchois [24] used the
converging beam from a Cauchois-bent crystal in
transmission. The beam focus touched the outer edge
of a cylindrical powder camera. Along the beam on
the opposite end of the diameter the powdered sample
was placed tangentially to the camera surface as seen
in Fig. 2.3.5(a). This arrangement gave sharp focusing on the film of the cylindrical camera. Guinier [60]
described the use of the Johansson -cut crystal for
powder
studies (also
45
approaches
the
shown
in Fig. 2.3.5(6)).
focusing
becomes
As
configuration
using
is
in Fig. 2.3.5(6) for 9
study with 6 near 45
the
is
necessary
Johansson-monochromator
useful.
If a singly-bent Johansson crystal is used with a

broad X-ray source it gives rise to a line focus. Therefore, if the monochromating crystal has a large vertical
dimension, two or even four Guinier cameras can be
stacked one above the other (de Wolff [136]). This
arrangement permits the simultaneous study of four
different samples on the same film. Other studies
using Guinier cameras are described in references
[36] [57] [69] [121] [129].
Kvitka, Kolontsova and Umanskii [89] constructed

a Guinier-type camera using the Johann singly-bent
crystal.
They studied aluminium, quartz, penta-
sodium chloride, beryllium, and

bent-monochromator materials.
Pentaerythritol gave high intensities but was unstable
aluminium gave high intensities
erythritol,
ineffective,
beams strike the film tangentially

the camera surface. The tendency is to use arrange-
mica
since the diffracted
to
If detailed
as
topaz,
possible
but also gave extra reflections

due to secondary recrystallization
after deformation. They finally
used quartz with (lOTl) parallel
to the plate faces. Their camera
was arranged to operate in vacuum,
and this gave trouble with film
shrinkage.
Hofmann and Jagodzinski [73]

designed a double Guinier camera.
The camera closest to the X-ray
tube and monochromating crystal
operates in transmission while the
second camera operates in reflection (Fig. 23.5(d)). This arrange-
(d)
Camera arrangements with focusing monochromators S = X-ray

F=monochromator focus and PS = powder specimen. After Guinier
Fig. 2.3.5.
source,
[60]
and Hofmann and Jagodzinski
[73].
85
ment permits simultaneous recording of both the 0-45 and

45-90 ranges of 0, and if the
camera design permits three
samples in each camera, as many
as six different specimens may be
studied in two related angular
ranges simultaneously. Exposure
times are of the order of one hour
for many ordinary materials.
Hagg and Karlsson [66] used a
Guinier-type camera with an aluminium monochromator having
a double-cylindrical curvature and
2.3.
FILTER
thus a point focus. They found a 16-fold gain over

a bent quartz crystal with polished surface.
Other uses of focusing monochromating crystals
as applied to camera techniques are described in
purity of the trace observed, since the focusing
references [5] [17] [106] [135].

2.3.6. Counter-diffractometer
mono-
chromator is sensitive only to a given wavelength plus

weaker harmonics. The monochromator used was a
bent quartz crystal in the holder described by Wooster,
Ramachandran and Lang [142]. Banerjee [6] has used
the same scheme with a monochromator crystal
formed from NaCl bent in a saturated salt solution
and then lapped to the proper Johansson focusing
conditions. The efficiency of Banerjee's arrangement
was such that the monochromating system gave an
intensity equal to 14% of the intensity normally
Techniques using
Monochromators
Lang [91] has considered four arrangements of

focusing monochromators in analysing the diffracted
beam from a flat specimen on a diffractometer,

together with aberrations and other errors and relative
performances. Fig. 2.3.6(a) illustrates such a flat
observed when the
beam
entered directly into the

geometry permits the
study of highly radioactive samples [31] with a 100fold reduction of background due to the activity as
counter.
specimen in a divergent incident beam from S. The

diffracted beams diverge to a singly-bent crystal monochromator which focuses finally on the detector slit.
An advantage of this arrangement over the three
others described below is that the creation of fluorescence radiation in the sample does not affect the
special use of this
compared with
that in the normal pattern.

In Fig. 23.6(b) is shown a reflection-transmission
scheme in which a lithium fluoride plate lapped to
mm
thickness is used.
This scheme permits
observation of large-angle reflections, because the
detector is kept out of the region of the X-ray tube.
0-3
In Fig. 2.3.6(c) is shown the transmission-reflection

monochromator arrangement. This is suitable for
materials with low absorption coefficients and for
which it is essential to obtain a monochromatic dif-
fractometer trace. And in Fig. 2.3.6(d) is illustrated

the transmission-transmission monochromator scheme.
In this method no
slits are used, and it might be found

advantageous in situations where a compact arrange-
ment
2.3.7.
Fig. 2.3.6.
Lang
necessary.
Other Review Articles
Wilsdorf [134] has considered the X-ray optics

possible with crystal reflectors, including applications
to long wavelengths and X-ray microscopy. Cauchois
[27] has reviewed developments in bent-crystal techniques up to 1949. Rose and Barraud [112] show in
table form some possible methods of obtaining monochromatic radiation. Sandstrom [118] has written a
brief review of monochromators as used by X-ray
spectroscopists. Furnas [54] has considered the errors
and aberrations which occur in many monochromator
systems and especially problems of scattered radiation
and focal contrast. Guinier and Von Eller [65] and
Brindley (see [104], p. 122) have considered monochromators for use in powder diffraction studies.
Guinier [62] has discussed in general the problems of
utilization of monochromatic radiation.
Counter-diffractometer techniques, using
monochromators. S=X-ray source, F=monochromator focus, D= detector and PS = powder specimen.

After
is
[91].
86
2.3.
[1]
Anderson, E. K., and Schaffer, C. E. Acta
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[25] Idem. J. Phys. Radium, (7) 4, 61, 1933.
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Dershem, E., and Dozier, C. T. Ibid., 17, 519,
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Gorton, W.
[61]
[24]
[34]
N. Acta
[59]
[62]
[33]
J.
[58]
Carlsson, E. Z.Phys., 84, 801, 1933.

Cauchois, Y. C.R. Acad. Sci. Paris, 194, 362, 1932.
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[29]
Instr., 28, 1042, 1957.
Hirsch, P. B., and Kellar,
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Sci. Paris, 158, 944, 1914.
[301
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P.,
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[23]
11,
1952.
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[16]
[22]
Sci. Instr., 31,
/.
21, 1038, 1950.
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Rogers, T. H. J. Appl. Phys., 23, 881, 1952.
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Rev. Sci. Instr., 8, 308, 1937.
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Danielson, W.
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Laval, J. Bull. Soc. franc. Miner. Crist.,
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Miner. Crist., 11, 734, 1954.
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A.,
Ramachandran, G.
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Instr., 22, 212, 1951.
N.,
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1949.
I.
Rev. Sci.
2.4.
2.4.1.
Tables relating to Scattering Angles
References to Existing Tables of 20 vs
to 1 in 25,000. For work where greater precision

required the latest values of X-ray wavelengths must
be consulted and quoted.
in
2.4.3. Layer-line Separation vs Identity Period
is
Tables 2.4.3 give identity (translation) periods along

a rotation axis, the primary beam being normal to the
rotation axis, in terms of the separation y=r tan v
between the layer line and the equator, on rotation or
oscillation photographs (r=camera radius, v--- angle
between generator of layer line and equator).
The data were computed on a Burroughs 205 digital
computer for the following (mean) Kd radiations:
An
approximate quick-reference table of d vs 8 for

various mean wavelengths was also given in Volume II
(Table 4.6, p. 204). Further extensive tables have been
published as follows
1.
Rose, A.
CNRS,
2.
mm
of diameter 5-73 cm so that 1

on the film
corresponds to an angle of 2 at the axis, that is, to a
Bragg angle of 1. In practice, however, allowance
must always be made for film thickness, shrinkage,
etc., as well as for possible change of camera radius
with temperature. The third and perhaps the second
decimal place in parts of such tables as these are
therefore of doubtful significance.
made
In Volume II, Section 4.6 (p. 202), references are

given to various published tables available for transforming from measured 28 angles to interplanar
spacings in A. There are occasionally small differences in the fifth figure in such tables, because of
the use of slightly different values of the basic wavelengths. They may be taken as being correct absolutely
J.
13
Donnay,
Radiocristallographie Tables et Abaques.
Quai Anatole-France, Paris 7 e 1957.

,
G.,
and Donnay,
J.
D. H. Tables for
the
Ag
25-00 to 69-99 for CuK^. Publication of the

Crystallographic Laboratory, Johns Hopkins Unialso
Baltimore
Donnay,
J.
18,
Md.
D. H. and Donnay, G. Amer.
r= 28-6478
r= 30-0000
r= 57-2956
Diameter of the Debye-Scherrer Rings
=3
'
Some powder
Sirr
(rotation,
(0-477464829
(0-318309886
if
if
Fe
Cr
1-9373
2-2909
for each given radiation
is
for
mm
mm
mm
(normally used)
(some Unicam and other cameras)

(large camera, as used for proteins,
(The final two figures are without significance except

for computation purposes, since the actual film radius
cannot be determined with this degree of accuracy,
nor are the average wavelengths suitable for work of"
high precision.)
The quantity measured (layer-to-layer line separawould be 2y. The tables give y in 0-1 mm at
A-=30mm
r=45
1-7902
etc.)
mm
14lso?fis-
1-6591
Co
the following camera radii r
Tables 2.4.2A and 2.4.2B give the distances between

equivalent powder lines in cylindrical cameras of
radii 30
and 45
respectively, interpreted in
terms of the corresponding Bragg angle 6. For purposes of machine computation the following values
were used
mm
Ni
The sequence of tables
U.S.A., 1951, 1955. See
Min., 44, 177, 1959.
2.4.2.
Cu
0-5609
0-7107
1-5418
Mo
terms of the deviation angle 28 for every hundredth

of a degree from 10-00 to 49-99 for CuKoc andfrom
in
versity,
Interpretation of X-ray Diffraction Data, giving the

square of the reciprocal lattice vector to 5 decimals
tion)
mm
intervals of 0-1
Weissenberg) cameras are
mm, and
distances in 0-001 A.
89
corresponding translation
TABLE
Bragg Angles
2x
(mm)
00
8 for
2.4.2A
Various Distances 2x between Corresponding Powder Lines in Cylindrical Camera of

Radius 3 cm {x (mm) =600 (radians)}
01
0-2
0-3
0-4
0-5
0-6
0-7
0-8
0-000
0-048
0-095
0-143
0191
0-239
0-286
0-525
0-573
0-621
0-668
0-716
0-764
0-334
0-812
0-382
0-477
0-955
1-003
1-050
1-098
1-146
1-194
1-241
1-289
1-337
1-432
1-480
1-528
1-576
1-623
1-671
1-719
1-766
1-910
1-958
2-005
2-053
2-101
2-149
2-196
2-244
1-814
2-292
0-859
0-9
0-430
0-907
1-385
1-862
2-340
2-387
2-435
2-483
2-531
2-578
2-626
2-674
2-722
2-769
2-865
2-913
2-960
3008
3-199
3-247
3-342
3-390
3-438
3-485
3-104
3-581
3-151
3-056
3-533
3-629
3-820
3-867
3-915
3-963
4011
4-058
4-106
4-297
4-345
4-393
4-440
4-488
4-536
4-584
3-676
4-154
4-631
3-724
4-202
4-679
10
4-775
4-822
4-870
4-918
5-061
5-109
5-157
5-252
5-300
5-348
5-395
4-966
5-443
5-013
11
5-491
5-539
5-586
12
5-730
6-207
5-777
5-825
5-873
6-303
6-350
5-968
6-446
6064
6-255
5-921
6-398
6016
13
6-494
6-541
5-634
6-112
6-589
14
6-685
6-732
6-780
6-828
6-875
6-923
6-971
7-019
7-066
6-637
7-114
15
7-162
7-210
7-257
7-305
7-353
7-401
7-448
7-496
7-544
7-592
16
7-639
7-687
7-735
7-783
7^830
7-878
7-926
7-974
8-021
8069
17
8-117
8-165
8-212
8-260
8-308
8-356
8-403
8-451
8-499
8-547
18
8-594
9-072
8-642
8-690
8-738
8-785
8-833
8-881
8-929
9-167
9-215
9-263
9-311
9-358
9-406
8-976
9-454
9024
9-120
19
2-817
3-295
3-772
4-249
4-727
5-204
5-682
6159
9-502
20
9-549
9-597
9-645
9-693
9-740
9-788
9-836
9-884
9-931
9-979
21
10-027
10-075
10-122
10-170
10-218
10-265
10-313
10-361
10-409
10-456
22
23
24
10-504
10-552
10-600
10-647
10-695
10-743
10-791
10-838
10-886
10-982
11-029
11-077
11-125
11-173
11-220
11-268
11-316
11-364
10-934
11-411
11-459
11-507
11-555
11-602
11-650
11-698
11-746
11-793
11-841
11-889
25
26
27
28
29
11-937
11-984
12-032
12-080
12-128
12-175
12-223
12-271
12-319
12-366
12-414
12-462
12-510
12-557
12-605
12-653
12-701
12-748
12-796
12-892
12-939
12-987
13-035
13-178
13-226
13-274
13-417
13-465
13-512
13-082
13-560
13-130
13-369
13-608
13-655
13-703
13-751
12-844
13-321
13-799
13-846
13-894
13-942
13-990
14-037
14-085
14-133
14-181
14-228
14-276
30
14-324
14-372
14-419
14-467
14-515
14-563
14-610
14-658
14-706
14-754
31
14-801
14-849
14-897
14-945
15-136
15-183
15-231
15-279
15-327
15-374
15-422
15-040
15-518
15-088
32
33
34
14-992
15-470
15-565
15-613
15-661
15-709
15-756
15-804
15-852
15-900
15-947
15-995
16-043
16-091
16-138
16-186
16-234
16-282
16-329
16-377
16-425
16-473
16-520
16-568
16-616
16-664
35
36
37
38
39
16-711
16-759
16-807
16-855
16-902
16-950
16-998
17-045
17-093
17-141
17-189
17-236
17-284
17-332
17-427
17-475
17-523
17-571
17-618
17-666
17-714
17-762
17-809
17-380
17-857
17-905
17-953
18-000
18-048
18-096
18-144
18-191
18-239
18-287
18-335
18-382
18-430
18-478
18-526
18-573
18-621
18-669
18-717
18-764
18-812
18-860
18-908
18-955
19-003
19-051
40
19099
19-146
19-194
19-242
19-385
19-433
19-481
19-528
19-576
19-624
19-672
19-719
19-815
19-863
19-910
19-958
20006
42
43
44
20-054
20-531
20-101
20-579
21-056
20-149
20-626
21-104
20-197
20-674
21-152
19-290
19-767
20-245
19-337
41
20-292
20-770
21-247
20-340
20-817
21-295
20-388
20-865
21-343
20-435
20-913
21-390
20-483
20-961
21-438
21-534
22-011
22-489
21-581
21-725
22-202
22-966
23-444
23-014
21-629
22-107
22-584
23-062
23-491
23-539
21-772
22-250
22-727
23-205
23-682
21-820
22-298
22-775
23-253
23-730
21-868
22-345
22-823
23-300
23-778
21-916
22-393
22-871
23-348
23-825
45
46
47
48
49
21-008
21-486
21-963
22-441
22-918
23-396
22-059
22-536
20-722
21199
21-677
22-154
22-632
23-109
23-587
90
22-680
23-157
23-635
TABLE
Bragg Angles
2x
(mm)
00
6 for
2.4.2A {continued)

01
0-2
0-3
0-4
0-5
0-6
0-7
0-8
24064
24112
25-879
24-542
25-019
25-497
25-974
24-589
25-067
25-544
26-022
24-160
24-637
25-115
25-592
26-070
24-207
24-685
25-162
25-640
26-117
24-255
24-494
24-971
25-449
25-926
26-308
26-786
27-263
27-741
28-218
26-356
26-834
27-311
27-788
28-266
26-404
26-881
27-359
27-836
28-314
26-452
26-929
27-406
27-884
28-361
26-499
26-547
27-025
27-502
27-979
28-457
26-595
27-072
27-550
28-027
28-505
26-643
26-977
27-454
27-932
28-409
27-120
27-597
28-075
28-552
26-690
27-168
27-645
28-123
28-600
28-696
28-743
29-221
28-791
28-839
29-316
29-794
28-887
28-934
29-078
29-412
29-889
28-982
29-460
29030
29-507
29-985
30-462
30-940
29-555
30-749
29-364
29-842
30-319
30-796
31-274
31-751
32-229
32-706
33-184
31-322
31-417
31-895
32-372
32-850
33-327
31-465
31-942
32-420
33-805
34-282
33-852
23-873
23-921
51
24-351
52
53
54
24-828
25-306
25-783
24-398
24-876
25-353
28-831
55
56
57
58
59
26-261
26-738
27-216
27-693
28-170
60
28-648
23-969
24-446
24-924
25-401
30-128
29-698
30-176
30-606
30-653
29-269
29-746
30-224
30-701
31-035
31-513
31-990
32-468
32-945
31-083
31-131
31-178
31-560
32-038
32-515
32-993
31-608
31-656
70
33-423
71
33-900
34-377
34-855
35-332
75
76
77
78
79
35-810
36-287
80
38-197
38-675
39-152
39-630
40-107
85
86
87
88
89
90
61
29125
29-173
62
63
64
29-603
30-080
30-558
29-651
65
66
67
68
69
30-271
30-367
30-844
29-937
30-415
30-892
31-369
31-847
32-324
24-733
25-210
25-688
26165
32-086
32-133
32-563
32-611
33-041
33-088
31-226
31-704
32-181
32-659
33-136
33-470
33-518
33-566
33-614
33-661
33-709
33-757
33-948
33-996
34-473
34-043
34-091
34-139
34-186
34-521
34-568
34-664
34-998
35046
35-380
34-950
35-428
34-616
35-094
35-476
35-523
35-571
35-619
34-234
34-712
35-189
35-667
35-858
35-905
37-338
36-908
37-386
36-956
37-433
36-049
36-526
37-004
37-481
38-815
37-863
37-911
37-958
36-096
36-574
37-051
37-529
38-006
36-144
36-622
37-099
37-576
38-054
36192
36-383
36-860
35-953
36-431
36001
36-335
36-813
37-290
37-767
38-245
38-293
38-770
39-248
39-725
40-203
38-340
38-818
39-295
39-773
40-250
38-388
38-866
39-343
39-821
40-298
38-436
38-913
38-484
38-722
39-200
39-677
40-155
38-961
40-585
40-632
41062
41110
41-539
42-017
41-587
40-728
41-205
41-683
42-160
42-494
42-542
40-680
41-157
41-635
42-112
42-590
92
93
94
42-972
43-449
43-927
44-404
44-882
43-020
43-497
43-975
44-452
44-929
95
96
97
98
99
45-359
45-837
46-314
46-792
47-269
45-407
45-884
46-362
46-839
47-317
81
82
83
84
91
36-765
37-242
37-720
24-303
24-780
25-258
25-735
26-213
24016
50
72
73
74
0-9
34-425
34-903
42065
36-478
31-799
32-277
32-754
32-802
33-232
33-279
35141
34-759
35-237
35-714
30-033
30-510
30-987
32-897
33-375
34-330
34-807
35-285
35-762
37-624
36-240
36-717
37-195
37-672
38-102
38-149
38-531
39-009
39-486
39-964
40-441
38-579
39-057
39-534
40-012
38-627
40059
40-489
40-537
36-669
37-147
39104
39-582
39-868
39-439
39-916
40-346
40-394
40-823
40-871
41-301
42-638
40-776
41-253
41-730
42-208
42-685
41-348
41-826
42-303
42-781
40-919
41-396
41-874
42-351
42-829
40-966
41-444
41-921
42-399
42-876
41-014
41-492
41-969
42-447
42-924
43-067
43-545
44-022
44-500
44-977
43-115
43-593
43-163
43-640
44118
44-547
45-025
44-595
45-073
43-258
43-736
44-213
44-691
45-168
43-306
43-784
44-261
44-738
45-216
43-354
44070
43-211
43-688
44-166
44-643
43-831
44-309
44-786
43-402
43-879
44-356
44-834
45-311
45-455
45-932
46-410
46-887
47-365
45-502
45-980
46-457
46-935
47-412
45-550
46-028
46-505
46-983
47-460
45-646
46-123
46-601
47-078
45-693
46-171
46-648
47-126
45-741
47-556
47-603
47-651
91
39-391
41-778
42-256
42-733
45120
45-598
46-075
46-553
47-030
47-508
45-264
46-219
46-696
47-174
45-789
46-266
46-744
47-221
47-699
TABLE
Bragg Angles
2x
0 for
2.4.2A {continued)

00
01
0-2
0-3
0-4
47-746
48-224
48-701
49-179
49-656
47-794
48-272
48-749
49-227
49-704
47-842
48-319
48-797
47-890
48-367
48-845
49-322
49-800
47-937
48-415
48-892
49-370
49-847
47-985
48-463
48-940
105
106
107
108
50-134
50-611
50-182
50-659
50-229
51-136
50-277
50-755
51-232
50-325
50-802
51089
50-707
51-184
51-566
52-044
51-614
52-091
51-662
109
52-139
110
52-521
52-569
52-617
111
52-999
53-046
53-094
112
53-476
53-524
113
54-001
114
53-954
54-431
54-479
54-526
54-574
115
116
54-908
54-956
55099
55-434
55-529
117
55-863
55-911
55-004
55-481
55-959
55-052
55-386
118
56-341
56-389
56-436
56-484
55-577
56-054
56-532
119
56-818
56-866
56-914
56-962
57-009
120
57-296
57-344
57-391
121
57-773
57-821
57-869
57-439
57-916
122
123
58-251
58-298
58-728
58-776
58-346
58-824
124
59-206
59-253
59-301
(mm)
100
101
102
103
104
125
59-683
59-731
126
60-161
60-208
0-9
48-128
48-606
49-083
49-561
50-038
48-176
48-654
49-131
49-609
50-086
50-516
50-993
51-471
50-564
50-420
50-468
50-898
51-375
50-946
51-423
51-709
51-280
51-757
50-850
51-327
51-805
51-853
51-900
51-948
51-996
52-187
52-235
52-282
52-330
52-378
52-426
52-473
52-712
52-760
53-237
52-808
52-855
52-903
52-951
53-285
53-333
53-381
53-428
53-572
52-664
53-142
53-619
54-049
54-097
51-041
51-518
53-763
53-810
54-288
53-858
53-906
54-240
54-336
54-383
54-670
54-717
54-765
54-813
54-861
55-147
55-625
55-195
55-243
55-720
56-102
56-150
56-198
56-580
56-627
56-675
57-057
57-105
57-153
55-290
55-768
56-245
56-723
57-200
55-338
55-672
57-487
57-964
57-535
58-012
57-582
57-630
57-678
58060
58-107
58-155
58-394
58-871
59-349
58-442
58-919
59-397
58-489
58-537
58-585
58-633
58-967
59-444
59015
59062
59110
57-726
58-203
58-680
59-158
59-492
59-540
59-588
59-635
59-826
60-304
60-781
61-259
61-736
59-874
60-352
60-829
61-306
59-922
59-970
60-447
60-925
61-402
60-017
60-495
60-972
60-065
60-543
61-450
61-927
61-497
61-975
60-113
60-590
61-068
61-545
62-023
62-214
62-691
62-261
62-739
63-169
63-646
64-124
62-500
62-978
63-455
63-933
64-410
56-007
60-686
61-163
129
61-593
61-641
61-688
130
62070
62-118
62- 166
131
62-548
62-643
132
63025
133
63-503
62-596
63-073
63-551
134
63-980
64-028
64076
135
64-458
64-935
65-413
64-506
64-983
65-460
64-553
65-031
64-601
136
65-508
65-890
66-368
65-938
65-986
66-463
65-556
66-033
66-511
66-845
67-323
142
143
144
67-S00
68-277
68-755
66-893
67-370
67-848
66-941
141
68-325
145
146
147
69-232
69-710
70-187
148
149
63-598
49-513
49-991
53-715
61116
63-121
53-190
53-667
54-145
54-622
49-418
49-895
54-192
60-638
140
0-8
50-373
49-274
49-752
127
66-415
0-7
48-081
48-558
49-036
128
139
0-6
48-033
48-510
48-988
49-465
49-943
59-779
60-256
60-734
61-211
137
138
0-5
65-078
61-784
60-399
60-877
61-354
61-832
61-879
61020
55-816
56-293
56-771
57-248
62-357
62-834
63-216
62-309
62-787
63-264
63-312
62-405
62-882
63-360
63-694
64-171
63-742
64-219
63-789
64-267
63-837
64-315
62-452
62-930
63-407
63-885
64-362
64-649
65-126
65-604
64-744
65-222
65-699
66-177
66-654
64-792
65-269
65-747
66-224
66-702
64-840
65-317
65-795
66-272
66-750
64-887
66-081
66-559
64-696
65-174
65-651
66-129
66-606
67-036
67-514
67-991
68-468
68-946
67-084
67-561
68-039
68-516
68-994
67-132
67-609
68-086
68-564
67-179
67-657
68-134
67-275
67-752
68-230
69041
68-612
69-089
67-227
67-705
68-182
68-659
69-137
69-519
69-996
70-474
70-951
71-429
69-567
70-044
70-522
70-999
71-476
69-614
69-662
70-140
70-617
71-095
71-572
67-418
66-988
67-466
67-896
67-943
68-373
68-421
68-803
68-850
68-898
69-280
69-758
69-328
69-805
69-376
69-853
70-283
70-331
70-665
70-235
70-713
69-423
69-901
70-378
70-760
70-808
70-856
69-471
69-949
70-426
70-904
71-142
71-190
71-238
71-286
71-333
71-381
92
70092
70-569
71-047
71-524
65-365
65-842
66-320
66-797
68-707
69-185
TABLE
Bragg Angles
2x
2.4.2A {continued)
Various Distances 2x bet>veen Corn;sponding I'owder

Radius 3 cm {x (mm)==600 (radians)}
6 for
Lm es
in
Cyhridrical Canlera
ol
0-3
0-4
0-5
0-6
0-7
0-8
0-9
71-715
72-193
71-763
72-240
71-811
71-858
72-718
73-195
73-577
72-670
73-148
73-625
72-336
72-813
71-906
72-384
72-861
73-673
73-721
73-768
73-339
73-816
71-954
72-431
72-909
73-386
73-864
72-002
72-479
72-957
73-434
73-912
72-049
72-288
72-766
73-243
74-007
74-485
74-962
75-439
75-917
74-055
74-103
74-341
74-389
74-437
74-771
74-819
75-248
75-296
75-726
75-965
74-246
74-723
75-201
75-678
76-156
74-294
74-580
75-057
75-535
76-012
74-150
74-628
75-105
75-583
76-060
74-198
74-532
75-010
75-774
76-251
74-866
75-344
75-821
76-299
74-914
75-392
75-869
76-347
76-442
76-920
77-397
76-538
77-015
77-493
76-585
77-062
77-540
76-681
76-967
77-445
76-633
77-111
162
76-394
76-872
77-349
77-588
76-776
77-254
77-731
76-824
77-302
77-779
163
164
77-827
78-304
77-875
77-922
77-970
78-018
78-066
77-636
78-113
76-729
77-206
77-684
78-161
78-400
78-447
78-495
78-543
78-591
78-638
78-209
78-686
78-256
78-352
165
166
167
168
78-782
79-259
79-737
78-829
79-307
79-784
78-877
79-355
79-832
78-925
79-402
79-880
79-116
79-593
80-071
80-310
80-357
80-501
80-548
80-739
80-787
80-835
80-978
81-026
79-164
79-641
80-119
80-596
81-074
79-211
80-262
79-020
79-498
79-975
80-453
80-930
79-068
79-546
80-023
80-214
80-692
78-973
79-450
79-928
80-405
80-883
81-169
81-646
81-217
81-265
81-312
81-456
81-503
81-551
81-599
81-742
82-028
82-076
172
81-933
82-410
81-981
82-219
81-790
82-267
81-885
82-124
81-694
82-172
82-458
82-506
82-554
173
82-601
82-649
82-697
82-745
82-936
82-983
83-031
83-079
83-127
83-174
83-222
82-840
83-318
82-888
174
81-360
81-837
82-315
82-792
83-270
81-408
171
83-365
83-413
83-461
83-509
175
83-556
84-034
83-604
84-082
83-652
83-843
83-891
84-273
84-320
84-368
83-938
84-416
83-986
84-464
84-559
84-846
84-893
84-941
85-036
85-132
85-275
85-323
85-371
85-418
85-466
85-514
85-562
85-609
85-180
85-657
84-750
85-227
85-705
84-798
84-989
84-607
85-084
83-747
84-225
84-702
83-795
84-511
83-700
84-177
84-655
85-753
85-800
85-848
85-896
85-991
86-039
86-087
86-230
86-278
86-326
86-373
86-517
86-755
86-803
86-851
87-185
87-233
87-281
87-328
87-663
87-710
87-758
87-901
86-994
87-472
87-949
86-660
87-137
87-615
88-092
86-708
86-946
86-564
87-042
87-519
87-997
86-135
86-612
87-090
87-567
88-045
86-182
86-469
182
183
184
85-944
86-421
86-899
87-376
87-854
88-140
88-188
88-236
87-806
88-283
185
88-331
88-379
88-426
88-474
88-713
88-761
88-856
88-904
88-952
88-570
89-047
88-665
88-808
89-095
89-143
89-286
89-763
89-334
89-811
89-381
89-429
89-525
89-572
89-620
89-190
89-668
89-238
187
89-859
89-907
88-522
88-999
89-477
89-954
88-617
186
00
01
71-667
72-145
72-622
154
71-620
72-097
72-575
73-052
73-530
155
156
157
158
159
160
(mm)
150
151
152
153
161
169
170
176
177
178
179
180
181
188
73- 100
75-487
87-424
0-2
76-490
84-129
74-676
75-153
75-630
76-108
93
73-291
82-363
76-203
77-158
72-527
73-004
73-482
73-959
78-734
79-689
80-166
80-644
81-121
89-716
TABLE
Bragg Angles
2x
(mm)
00
0000
0-318
2
3
0-637
0-955
1-273
6 for
2.4.2B

Radius 4-5 cm {x (mm) =900 (radians)}
01
0-2
0-3
0-032
0-350
0-668
0064
0095
0-382
0-700
0-414
0-732
0-987
1019
1-050
1-305
1-337
0-4
0-5
0-127
0-446
01 59
0-477
0-764
1-082
1-369
1-401
1-719
2-037
2-355
2-674
2-992
0-6
0-7
0-8
0-9
0-286
0-605
0-923
0191
0-223
0-255
0-541
0-573
0-796
0-509
0-828
0-859
0-891
1114
1146
1-178
1-210
1-241
1-432
1-464
1-496
1-528
1-560
1-592
1-623
1-655
1-687
1-910
1-942
1-974
2005
2-228
2-260
2-292
2-546
2-578
2-865
2-897
2-610
2-928
2-324
2-642
2-960
10
3-183
3-215
3-247
3-279
3-310
3-342
3-374
11
3-501
3-533
3-565
3-597
3-629
3-661
3-692
12
3-820
3-852
3-883
3-915
3-947
3-979
4-011
4-043
13
4-138
4-456
4-170
4-488
4-202
4-520
4-234
4-552
4-265
4-584
4-297
14
4-615
4-329
4-647
15
4-775
4-806
4-838
5093
5-125
5-157
4-902
5-220
5-539
4-934
16
5-252
1-751
1-783
1-814
1-846
1-878
2069
2-101
2-133
2-165
2-196
2-387
2-419
2-451
2-483
2-706
3-024
2-737
3-056
2-769
3-088
2-801
2-515
2-833
3-119
3-151
3-406
3-438
3-470
3-724
3-756
3-788
4106
4-361
4-679
4-074
4-393
4-711
4-966
4-997
5-029
5061
5-284
5-316
5-348
5-379
4-425
4-743
17
5-411
5-443
5-475
4-870
5-188
5-507
5-570
5-602
5-634
5-666
5-698
18
5-730
5-761
5-793
5-825
5-857
5-889
5-921
5-952
6016
19
6048
6-080
6-112
6-143
6-175
6-207
6-239
6-271
5-984
6-303
20
6-366
6-398
6-430
6-462
6-494
6-525
6-557
6-589
6-621
6-653
21
6-685
6-716
6-748
6-780
6-812
6-844
6-875
6-907
6-939
6-971
22
23
24
7-003
7-035
7-066
7-098
7-130
7-194
7-226
7-257
7-289
7-321
7-353
7-385
7-417
7-448
7-162
7-480
7-512
7-671
7-703
7-735
7-767
7-799
7-830
7-576
7-894
7-608
7-639
7-544
7-862
6-334
7-926
7-958
7-990
8-021
8-053
8-085
8-117
8149
8-181
8-212
8-244
8-276
8-308
8-340
8-372
8-403
8-435
8-467
8-499
8-531
8-563
8-594
8-626
8-658
8-690
8-722
8-754
8-785
8-817
8-849
8-881
8-913
8-945
8-976
9-008
9040
9-072
9-135
9-167
9199
9-231
9-263
9-295
9-326
9-358
9-390
104
9-422
9-454
9-486
9-517
30
9-549
9-581
9-613
9-645
9-677
9-708
9-740
9-772
9-804
9-836
31
9-868
9-899
9-931
9-963
9-995
10-027
10059
10-090
10-122
10-154
32
33
34
10-186
10-218
10-250
10-281
10-313
10-345
10-377
10-409
10-441
10-472
10-504
10-536
10-568
10-600
10-632
10-663
10-695
10-727
10-759
10-791
10-823
10-854
10-886
10-918
10-950
10-982
11-014
11-045
11-077
11109
35
36
37
38
39
11141
11-173
11-205
11-236
11-268
11-300
11-332
11-364
11-395
11-427
11-459
11-491
11-523
11-555
11-586
11-618
11-650
11-682
11-714
11-746
11-777
11-809
11-841
11-873
11-905
11-937
11-968
12-000
12-032
12-064
12096
12-128
12159
12-191
12-223
12-255
12-287
12-319
12-350
12-382
12-414
12-446
12-478
12-510
12-541
12-573
12-605
12-637
12-669
12-701
40
12-732
12-764
12-796
12-828
13-083
13114
13146
12-892
13-210
13-242
12-955
13-274
12-987
13-305
13019
13051
12-860
13-178
12-923
41
42
13-369
13-401
13-433
13-465
13-496
13-528
13-560
13-592
13-655
13-974
25
26
27
28
29
9-
13-337
43
13-687
13-719
13-751
13-783
13-815
13-846
13-878
13-910
44
14006
14-037
14-069
14-101
14-133
14-165
14-197
14-228
13-624
13-942
14-260
45
46
47
48
49
14-324
14-356
14-388
14-419
14-451
14-483
14-514
14-547
14-579
14-610
14-642
14-674
14-706
14-738
14-801
14-833
14-865
14-961
14-992
15-024
15-120
15-152
15-183
15-279
15-311
15-343
15-438
15-470
15-629
15-661
15-756
15-788
15-502
15-820
14-897
15-215
15-534
15-597
15-056
15-374
15-693
14-770
15-088
15-406
15-725
14-929
15-247
15-565
15-884
94
15-852
14-292
TABLE
Bragg Angles
2x
(mm)
50
00
15-915
0 for
2.4.2B (continued)

0-8
0-9
16-170
16-488
16-202
16-457
16-839
0-7
01
0-2
0-3
0-4
0-5
0-6
15-947
15-979
16-011
16043
16-075
16-106
16-138
16-361
16-393
16-425
16-520
51
16-234
16-266
16-297
16-329
52
53
54
16-552
16-584
16-616
16-648
16-679
16-711
16-743
16-775
16-807
16-870
16-902
16-934
16-966
16-998
17-030
17-061
17-093
17-125
17-157
17-189
17-221
17-252
17-284
17-316
17-348
17-380
17-412
17-443
17-475
55
56
57
58
59
17-507
17-539
17-571
17-603
17-634
17-666
17-698
17-730
17-762
17-794
17-825
17-857
17-889
17-921
17-953
17-985
18-016
18-048
18-080
18-112
18-144
18-175
18-207
18-239
18-271
18-303
18-335
18-366
18-398
18-430
18-462
18-494
18-526
18-557
18-589
18-621
18-653
18-685
18-717
18-748
18-780
18-812
18-844
18-876
18-908
18-939
18-971
19003
19-035
19-067
60
19099
19130
19-162
19194
19-290
19-321
19-353
19-385
19-417
19-449
19-481
19-512
19-226
19-544
19-258
61
19-576
19-608
19-640
19-672
19-894
19-926
19-958
20-276
20-595
19-990
20-308
19-703
20-022
20-340
20-626
20-658
62
63
64
19-735
20-054
20-372
19-767
20-085
20-404
19-799
20-117
20-435
19-831
19-863
20-149
20-467
20-181
20-499
20-213
20-531
20-245
20-563
65
66
67
68
69
20-690
21-008
21-327
21-645
21-963
20-722
20-754
21-072
21-390
21-709
22-027
20-786
21-104
21-422
21-741
22-059
20-817
21-136
21-454
21-772
20-881
20-913
20-945
21-199
21-518
21-836
22-154
21-231
21-263
20-977
21-295
22091
20-849
21-168
21-486
21-804
22-123
21-550
21-868
22-186
21-581
21-900
22-218
21-613
21-932
22-250
70
22-282
22-600
22-314
22-632
22-950
23-268
23-587
22-345
22-664
22-377
22-695
22-409
22-727
22-441
22-759
22-791
22-505
22-823
22-536
22-855
22-568
22-886
22-982
23-014
23-332
23-650
23 046
23-364
23-682
23-077
23-396
23-714
23-141
23-459
23-778
23-173
23-205
23-300
23-619
23-491
23-523
23-810
23-841
24-096
24-414
24-733
25-051
25-369
24-128
24-446
24-765
25-083
25-401
24-160
24-478
24-796
25-115
25-433
71
21040
21-359
21-677
21-995
22-473
23-109
72
73
74
22-918
23-237
75
76
77
78
79
23-873
23-905
24-223
24-542
24-860
25-178
23-937
24-255
24-574
24-892
25-210
23-969
24-287
24-605
24-924
25-242
24-001
24-192
24-510
24-828
25-146
24-319
24-637
24-955
25-274
24-032
24-351
24-669
24-987
25-306
80
82
83
84
25-465
25-783
26-101
26-420
26-738
25-497
25-815
26-133
26-452
26-770
25-528
25-847
26-165
26-483
26-802
25-560
25-879
26-197
26-515
26-834
25-592
25-910
26-229
26-547
26-865
25-624
25-942
26-261
26-579
26-897
25-656
25-974
26-292
85
86
87
88
89
27-056
27-375
27-693
28-011
28-330
27-088
27-120
27-438
27-757
28-075
28-393
27-152
27-470
27-788
28-107
28-425
27-184
27-502
27-820
28-139
28-457
90
28-648
28-743
29-062
28-775
28-966
29-285
29-603
29-921
28-680
28-998
29-316
29-635
29-953
28-712
91
30-271
30-303
30-621
81
92
93
94
95
96
97
98
99
23-555
30-239
30-558
30-876
31-194
31-513
27-406
27-725
28-043
28-361
30-590
30-908
31-226
31-545
29-030
29-348
29-666
29-985
30-940
31-258
31-576
29-380
29-698
30-017
29-094
29-412
29-730
30-048
30-335
30-653
30-972
31-290
31-608
30-367
30-685
31-003
31-322
31-640
95
23-428
23-746
24-064
24-383
24-701
25-019
25-337
25-688
25-719
25-751
26006
26-038
26-929
26-324
26-643
26-961
26-356
26-674
26-993
26-070
26-388
26-706
27-025
27-215
27-534
27-852
28-170
28-489
27-247
27-566
27-884
28-202
28-521
27-279
27-597
27-916
28-234
28-552
27-311
27-343
27-629
27-948
28-266
28-584
27-661
28-807
29-125
29-444
29-762
28-839
28-871
28-903
29-157
29-475
29-794
30-112
29-189
29-507
29-826
30-144
29-221
29-539
29-857
30-176
28-934
29-253
29-571
29-889
30-208
30-462
30-494
30-812
31-131
31-449
31-767
30-526
30-844
31-163
31-481
31-799
30080
30-399
30-717
31-035
31-354
31-672
26-611
30-430
30-749
31-067
31-385
31-704
30-781
31-099
31-417
31-735
27-979
28-298
28-616
TABLE
Bragg Angles
2x
(mm)
0-0
6 for
0-1
0-2
0-3
0-4
0-5
0-6
0-7
0-8
31-958
32-277
32-595
32-913
33-232
31-990
32-308
32-627
32-945
33-263
32-022
32-340
32-659
32-977
33-295
32-054
32-372
32-690
33-009
33-327
32-086
32-404
32-722
33-041
33-359
32-117
32-436
32-754
33-072
33-391
33-614
33-932
34-250
34-568
34-887
33-645
33-677
33-995
34-314
34-632
34-950
33-709
34-027
34-346
34-664
34-982
36-224
36-542
35-301
35-619
35-937
36-255
36-574
36-860
37-179
37-497
37-815
38-134
36-892
37-210
37-529
37-847
38-165
38-484
100
31-831
31-863
31-895
101
32-149
32-468
32-181
32-213
32-499
32-818
104
32-786
33-104
33-136
32-531
32-850
33-168
31-926
32-245
32-563
32-881
33-200
102
103
2.4.2B {continued)

105
33-423
33-454
33-486
33-518
33-550
106
107
108
109
33-741
33-773
33-805
34-059
34091
34-123
34-377
34-409
34-441
34-696
34-728
34-759
33-836
34-155
34-473
34-791
33-868
34-186
34-505
34-823
33-582
33-900
34-218
34-537
34-855
110
35-014
35-110
35-396
35-428
35-714
36-001
36-033
35-746
36-065
114
35-332
35-651
35-969
36-287
35-046
35-364
35-683
35-078
111
36-319
36-351
36-383
35-141
35-460
35-778
36-096
36-415
35-173
35-492
35-810
36-128
36-446
115
116
117
118
119
36-606
36-924
37-242
37-561
37-879
36-637
36-956
37-274
36-669
36-701
36-733
36-765
36-988
37-306
37-624
37019
37-051
37-338
37-370
37-688
38-006
112
113
37-592
37-911
37-943
37-656
37-974
33-964
34-282
34-600
34-919
35-205
35-237
35-269
35-523
35-555
35-842
36-160
36-478
35-874
36-192
36-510
35-587
35-905
37-083
37-401
37-720
36-797
37-115
37-433
37-752
36-828
37-147
37-465
37-783
38-038
38-070
38-102
38-325
38-643
38-356
38-388
38-675
38-706
38-420
38-738
39-025
39-343
39-057
39-375
39-661
39-693
38-452
38-770
39-088
39-407
39-725
0-9
120
38-197
38-229
38-261
38-293
121
38-515
38-547
38-579
38-611
122
123
124
38-834
39-152
39-470
38-866
38-897
38-961
38-993
39-184
39-502
39-216
38-929
39-248
39-279
39-534
39-566
39-598
39-311
39-630
125
126
127
128
39-789
40-107
40-425
40-744
39-852
40-171
129
41-062
39-821
40-139
40-457
40-775
41-094
40-489
40-807
41-126
39-884
40-203
40-521
40-839
41-157
39-916
40-234
40-553
40-871
41-189
39-948
40-266
40-585
40-903
41-221
39-980
40-298
40-616
40-935
41-253
40-012
40-330
40-648
40-966
41-285
40-043
40-362
40-680
40-998
41-317
40-075
40-394
40-712
41-030
41-348
130
41-412
41-730
42-049
42-367
42-685
41-444
41-762
42-081
42-399
42-717
41-476
41-794
42-113
42-431
42-749
41-508
41-826
42-144
42-463
42-781
41-539
41-858
42-176
42-494
42-813
41-571
41-603
134
41-380
41-699
42-017
42-335
42-654
41-890
42-208
42-526
42-845
41-921
42-240
42-558
42-876
41-635
41-953
42-272
42-590
42-908
41-667
41-985
42-303
42-622
42-940
135
136
42-972
43-290
137
138
139
43-6C8
43-927
44-245
43-004
43-322
43-640
43-959
44-277
43-035
43-354
43-672
43-990
44-309
43-067
43-386
43-704
44-022
44-341
43-099
43-417
43-736
44-054
44-372
43-131
43-449
43-768
44-086
140
142
143
144
44-563
44-882
45-200
45-518
45-837
44-595
44-914
45-232
45-550
45-868
44-627
44-945
45-264
45-582
45-900
44-659
44-977
45-295
45-614
45-932
44-691
45-009
45-327
45-646
45-964
145
146
46-155
46-473
147
46-792
47-110
47-428
46-187
46-505
46-823
47-142
47-460
46-219
46-537
46-855
47-174
47-492
46-250
46-569
46-887
47-205
47-524
46-282
46-601
46-919
47-237
47-555
131
132
133
141
148
149
96
38-802
39-120
39-439
39-757
43-163
43-195
43-481
43-799
44-118
44-436
43-513
43-831
44-150
44-468
43-226
43-545
43-863
44-181
44-500
43-258
43-577
43-895
44-213
44-532
45-677
45-996
44-754
45-073
45-391
45-709
46-028
44-786
45-105
45-423
45-741
46-059
44-818
45-136
45-455
45-773
46-091
44-850
45-168
45-486
45-805
46-123
46-314
46-632
46-951
47-269
47-587
46-346
46-664
46-983
47-301
47-619
46-378
46-410
46-728
47-046
47-365
47-683
46-441
44-404
44-723
45-041
45-359
46-696
47-014
47-333
47-651
46-760
47-078
47-396
47-715
TABLE
Bragg Angles
2x
6 for
2.4.2B (continued)

0-6
0-7
0-8
0-9
47-937
48-001
48-033
48-574
48-892
49-211
47-969
48-288
48-606
48-924
49-243
49-497
49-815
50-134
50-452
50-770
49-529
49-561
49-593
49-847
50-166
50-484
50-802
49-879
50-197
50-516
50-834
49-911
50-229
50-548
50-866
50-261
51-057
51-089
51121
51-152
51-184
51-216
51-375
51-407
51-439
51-471
51-503
51-534
51-662
51-980
52-298
51-694
52-012
51-725
51-789
51-821
52-394
52-107
52-426
52-139
52-457
51-853
52-171
52-330
52-044
52-362
51-757
52-075
52-585
52-617
52-648
52-680
52-712
52-744
52-776
52-903
52-967
52-999
53-030
53-062
53-094
53-126
53-221
52-935
53-253
53-285
53-317
53-349
53-381
53-412
53-444
53-508
53-540
53-572
53-731
53-763
53-890
53-635
53-954
53-699
53-858
53-603
53-922
53-667
53-826
53-985
54-017
54-049
54-081
54-113
54-145
54-176
54-654
54-781
54-495
54-813
54-304
54-622
54-940
54-972
55099
55-131
55-259
55-290
55-418
55-450
55-577
55-609
54-367
54-686
55-004
55-322
55-641
54-399
54-463
54-208
54-526
54-845
55-163
55-481
54-335
54-431
55-036
55-354
55-672
55-704
56-023
55-736
55-768
55-800
55-959
55-991
56-118
56-182
56-245
56-277
56-309
177
178
56-341
56-373
56-086
56-405
55-895
56-214
55-927
56-054
56-691
56-977
57-009
56-564
56-882
57-200
56-627
56-659
56-532
56-850
57-168
56-595
56-914
179
56-500
56-818
57-137
57-550
57-869
57-582
58-219
00
01
47-778
154
47-746
48-065
48-383
48-701
49-020
155
49-338
156
49-656
49-975
50-293
0-5
0-3
0-4
48-733
49-052
47-810
48-128
48-447
48-765
49-083
47-842
48-160
48-479
48-797
49-115
47-874
48-192
48-510
48-829
49-147
47-906
48-224
48-542
48-861
50-611
49-370
49-688
50-006
50-325
50-643
49-402
49-720
50-038
50-357
50-675
49-434
49-752
50-070
50-388
50-707
49-465
49-784
50-102
50-420
50-739
160
50-930
50-961
50-993
51-025
161
51-248
51-312
51-343
162
163
164
51-566
51-885
52-203
51-280
51-598
51-916
52-235
51-630
51-948
52-266
165
52-521
52-553
166
167
52-839
53-158
52-871
53190
168
53-476
169
53-794
170
171
172
173
174
54-749
55-068
55-386
175
176
(mm)
150
151
152
153
157
158
159
48-097
48-415
0-2
56-723
57-041
56-436
56-755
57-073
49179
54-240
54-272
54-558
54-877
54-590
54-908
55-195
55-227
55-545
55-513
55-832
56-150
56-468
56-786
57-105
55-863
48-256
48-319
48-351
48-638
48-956
48-670
48-988
49-306
49 274
:
57-232
49-625
49-943
50-579
50-898
52-489
52-808
54-717
56-946
57-264
180
57-296
57-328
57-359
57-391
57-423
57-455
57-487
57-519
181
57-614
57-646
57-678
57-741
57-773
57-805
57-837
182
183
184
57-932
58-251
57-964
58-283
57-996
58-314
57-710
58-028
58-060
58-092
58-123
58-187
58-346
58-378
58-410
58-442
58-155
58-474
58-505
58-537
58-569
58-601
58-633
58-665
58-696
58-728
58-760
58-792
58-824
58-855
185
58-887
58-919
58-951
58-983
59015
59046
59-078
59-174
59-206
59-524
59-842
59-237
59-301
59-333
59-651
60001
59-747
60-065
59-778
59-970
59-397
59-715
60-033
60-097
59-492
59-810
60-129
60-161
60-192
59-619
59-938
60-256
59-365
59-683
59-460
59-556
59-874
59-269
59-588
59-906
60-224
59-110
59-428
59-142
186
187
188
189
60-288
60-320
60-352
60-383
60-415
60-447
190
60-479
60-511
60-543
60-574
60-606
60-638
60-670
60-797
61-115
60-829
60-861
60-893
61-147
61-466
61-784
61-179
61-497
61-816
61-211
60-925
61-243
60-956
61-275
61-529
61-848
61-561
61-879
61-593
61-911
60-988
61-306
61-625
61-943
60-702
61-020
61-338
61-657
61-975
60-734
61-052
61-370
61-688
62-007
60-765
191
62-102
62-134
62-452
62-771
63-089
63-407
62166
62-198
62-516
62-834
63-153
62-230
62-548
62-866
63-185
63-503
62-293
62-612
62-930
63-248
62-325
62-643
62-962
63-280
62-357
62-675
63-566
63-598
63-630
192
193
194
61-434
61-752
195
196
197
198
199
62-070
62-389
62-707
63-025
63-344
62-421
62-739
63-057
63-375
62-484
62-803
63-121
63-439
63-471
97
62-261
62-580
62-898
63-216
63-535
57-901
61-084
61-402
61-720
62-039
62-994
63-312
TABLE
Bragg Angles
2x
(mm)
200
0-0
0 for
2.4.2B (continued)

01
0-2
0-3
0-4
0-5
63-662
63-980
64-299
64-617
64-935
63-694
64-012
64-330
64-649
64-967
63-726
64-044
64-362
64-681
64-999
63-757
64-076
64-394
64-712
65-031
63-789
64-108
64-426
64-744
65-063
205
206
207
208
209
65-254
65-572
65-890
66-208
65-285
65-317
65-635
65-954
65-349
65-667
65-986
66-304
66-622
65-381
65-699
65-413
66-017
66-336
66-654
66-049
66-368
66-686
210
66-845
67-163
67-482
66-972
67-004
67-323
201
202
203
204
211
212
213
214
66-527
67-800
68-118
65-604
65-922
66-240
66-559
66-272
66-877
67-195
67-514
67-832
68-150
66-909
67-227
67-864
68-182
66-590
0-9
63-853
64-171
64-490
63-885
64-203
64-521
64-840
65-158
63-917
64-235
64-553
64-872
65-190
63-948
64-267
64-585
64-903
65-222
65-508
65-826
66-145
65-858
66-177
66-399
65-476
65-795
66-113
66-431
66-463
66-495
66-718
66-750
66-781
66-813
67-068
67-386
67-705
68-023
68-341
67-100
67-418
67-736
67-132
67-450
67-768
68-086
68-405
64-808
65-126
65-445
65-763
66-081
67-641
67-959
68-214
68-277
68-309
68-500
68-819
69-137
69-455
69-774
68-532
68-850
69-169
69-487
69-805
68-564
68-882
69-201
69-519
69-837
68-596
68-914
69-232
69-551
69-869
68-628
68-946
69-264
69-583
69-901
70-092
70-410
70-124
70-442
70-155
70-474
70-187
70-506
70-728
71-047
71-365
70-760
71-079
71-397
70-792
71-110
71-429
67-291
68-055
68-373
65-540
68-659
68-691
68-723
68-978
69-296
69010
69041
69-614
69-933
69-328
69-646
69-965
69-360
69-678
69-996
70-219
70-537
70-251
70-283
70-569
70-601
70-824
71-142
71-461
70-856
71-174
71-492
70-888
71-206
70-919
71-238
70-315
70-633
70-951
71-270
71-524
71-556
71-588
71-747
72-065
72-384
72-702
73-020
71-779
72-097
72-415
72-734
73-052
71-811
72-129
72-447
72-766
73-084
71-843
71-874
72-193
72-511
72-829
73-148
71-906
72-225
72-543
72-861
73-179
73-339
73-657
73-975
74-294
74-612
73-370
73-402
73-721
74-039
74-357
74-675
73-434
73-752
74-071
74-389
74-707
73-466
73-784
74-103
74-421
74-739
73-498
73-816
74-134
74-453
74-771
74-962
75-280
75-599
75-917
76-235
74-994
75-312
75-630
75-949
76-267
75-026
75-344
75-662
75-981
76-299
75-058
75-376
75-694
76-012
75-089
75-408
75-726
76-044
76-172
74-930
75-248
75-567
75-885
76-203
76-331
76-363
77-413
77-731
76-490
76-808
77-126
77-445
77-763
76-522
76-840
77-158
77-477
77-795
76-554
76-872
77-190
77-508
77-827
76-585
76-904
77-222
77-540
77-859
76-617
76-935
77-254
77-572
77-890
76-649
76-967
77-286
77-604
77-922
76-681
76-999
77-317
77-636
77-954
78-018
78-336
78-050
78-368
78-081
78-400
78-113
78-432
78-145
78-463
78-623
78-654
78-686
78-973
79-259
79-291
79-005
79-323
78-718
79-036
79-355
78-750
79-068
79-386
78-782
79-100
79-418
78-209
78-527
78-845
79-164
79-482
78-241
78-559
78-877
78-941
78-177
78-495
78-814
79-132
79-450
78-272
78-591
78-909
79-227
79-546
68-468
68-787
220
70-028
70060
221
70-346
70-378
222
223
224
70-665
70-697
70-983
71-015
71-301
71-333
225
226
227
228
229
71-620
71-938
72-256
72-575
72-892
71-652
71-970
72-288
72-606
72-925
71-683
72-002
72-320
71-715
72-034
72-352
72-638
72-670
72-988
230
73-211
73-243
73-275
231
73-530
73-561
73-593
232
233
234
73-848
73-880
74-166
74-485
74-198
73-912
74-230
74-548
235
236
237
238
239
74-803
75-121
74-835
75-153
75-471
74-866
75-185
75-503
74-898
75-217
75-535
75-821
75-853
76-076
75-790
76-108
76-140
240
76-394
76-713
77-031
77-349
77-668
76-426
76-745
77-063
77-381
77-699
76-458
76-776
77-095
77-986
78-304
245
246
247
248
249
65-731
0-8
67-609
67-927
68-246
67-545
68-437
68-755
69-073
69-392
69-710
242
243
244
64-139
64-458
64-776
65-094
0-7
67-036
67-354
67-673
67-991
66-941
67-259
67-577
67-895
215
216
217
218
219
241
63-821
0-6
75-439
75-758
69105
69-423
69-742
74-516
72-957
73-307
73-625
73-943
74-262
74-580
98
73-689
74-007
74-325
74-644
72-161
72-479
72-797
73-116
79-195
79-514
TABLE
Bragg Angles
2x
(mm)
00
250
79-577
251
79-896
80-214
80-532
80-851
252
253
254
255
256
257
258
259
81-806
82-124
82-442
260
82-761
261
83-079
262
263
264
83-397
83-716
265
266
267
268
269
84-352
84-670
270
85-944
86-262
86-580
86-899
87-217
271
272
273
274
81-169
81-487
84-034
84-989
85-307
85-625
6 for
2.4.2B {continued)

0-2
0-3
0-4
0-5
0-6
0-7
0-8
0-9
79-609
79-928
80-246
80-564
80-883
79-641
79-673
79-991
80-310
80-628
80-946
79-705
80-023
79-737
80-055
80-373
80-692
81-010
79-768
81-042
79-800
80-119
80-437
80-755
81-074
79-832
80-150
80-469
80-787
81-105
79-864
80-182
80-501
80-819
81-137
81-201
81-233
81-551
81-265
81-583
81-901
82-219
82-538
81-296
81-615
81-933
82-251
81-328
81-646
82-601
81-392
81-710
82-028
82-347
82-665
81-424
81-742
82-060
82-379
82-697
81-455
81-774
82-570
81-360
81-678
81-997
82-315
82-633
82-856
82-888
83-206
83-525
83-843
84-161
82-920
83-238
83-556
83-875
84-193
82-952
83-174
83-493
83-811
84-129
82-983
83-302
83-620
83-938
84-257
83-015
83-334
83-652
83-970
84-288
84-511
84-543
84-830
85-148
85-466
85-785
84-861
84-575
84-893
84-608
84-925
85-180
85-212
85-243
84-639
84-957
85-275
85-498
85-530
85-848
85-562
85-880
85-594
85-912
86-198
86-517
86-835
87-153
87-472
86-230
86-548
86-867
87-185
87-503
87-790
88-108
88-426
88-745
89-063
87-822
88-140
88-458
88-777
89-095
89-381
89-413
89-700
89-732
0-1
81-519
81-837
82-156
79-959
80-278
80-596
80-914
81-869
82-188
80-341
80-660
80-978
82-474
82-506
82-792
83-111
83-429
83-747
84-066
82-824
83-143
83-461
83-779
84-097
84-384
84-702
85-021
85-339
85-657
84-416
84-734
85-052
84-448
84-766
84-479
84-798
85-084
85-116
85-371
85-403
85-689
85-721
85-434
85-753
85-976
86-294
86-007
86-326
86-644
86-962
87-281
86-039
86-357
86-676
86-994
87-312
86-071
86-389
86-708
87-026
87-344
87-631
87-949
88-267
88-586
88-904
89-222
89-541
86-612
86-930
87-249
275
276
277
278
279
87-535
87-567
87-854
88-172
88-490
88-808
87-885
88-204
88-522
88-840
87-599
87-917
88-236
88-554
88-872
280
89-127
281
89-445
282
89-763
89-159
89-477
89-795
89-190
89-509
89-827
89-859
81-965
82-283
80-087
80-405
80-723
83-270
83-588
83-906
84-225
85-816
86-421
86-135
86-453
86-739
86-771
87-058
87-376
87-090
87-408
86-166
86-485
86-803
87-121
87-440
87-663
87-981
88-299
88-617
88-936
87-694
87-726
87-758
88-013
88-331
88-045
88-649
88-681
88-968
88-999
88-076
88-395
88-713
89-031
89-254
89-572
89-891
89-286
89-318
89-636
89-350
89-668
89-954
89-986
99
86-103
89-604
89-923
88-363
/82-092
82-410
82-729
83-047
83-365
83-684
84-002
84-320
TABLE
2.4.2C
Table for converting Minutes and Seconds into Decimals of a Degree
Min.
4
1
4
1
U
11
if
2
Dec. of
degree
0-0042
0-0083
0-0125
Min.
10i
101
10f
0-0167
11
0-0208
0-0250
0-0292
0-0333
Hi
ill
nf
12
Dec. of
degree
Min.
Dec. of
degree
Min.
0-1708
201
0-3375
30i
0-1750
0-1792
0-1833
201
20|
0-3417
0-3458
301
21
0-3500
31
0-1875
0-1917
0-1958
0-2000
211
0-3542
0-3583
0-3625
0-3667
31i
211
21!
22
30f
311
31!
32
Dec. of
degree
0-5042
0-5083
0-5125
0-5167
0-5208
0-5250
0-5292
0-5333
Min.
(cf.
Dec. of
degree
Vol.
Min.
501
50i
41
0-6708
0-6750
0-6792
0-6833
41i
411
41!
42
0-6875
0-6917
0-6958
0-7000
511
511
51!
401
40i
40!
50!
51
52
II,
Section 8.6)
Dec. of
degree
0-8375
0-8417
0-8458
0-8500
0-8542
0-8583
0-8625
0-8667
Sec.
00003
00006
00008
00011
0-0014
6
7
0-0017
10
0-0022
0-0025
0-0028
11
0-0031
12
0-0033
13
00036
14
2
3
?i
z
4
z2
2^
z
4
3
3i
3i
0-0375
0-0417
121
121
0-0458
0-0500
13
12^
0-2042
0-2083
0-2125
0-2167
131
1~>
4
131
"53
->4
0-0542
0-0583
0-0625
0-2208
0-2250
0-2292
00667
14
0-2333
4i
41
0-0708
0-0750
141
it
4
141
1H 2
4f
0-0792
0-0833
143
lt 4
15
0-0875
0-0917
0-0958
0-1000
151
16i
161
16|
0-1042
0-1083
0-1125
0-1167
71
'4
0-1208
17i
1 /
71
17i
1
0-1250
0-1292
0-1333
8i
0-1375
18i
81
8!
9
01417
181
0-1458
18f
01500
19
9i
0-1542
0-1583
0-1625
0-1667
19i
191
5i
51
-'4
6
61
61
6|
7f
'91
9f
10
151
15f
16
17
'
17^
1 / 4
18
19f
20
221
221-
22!
23
23i
23i
23!
24
0-3708
0-3750
32i
32i
0-3792
0-3833
32!
0-3875
0-3917
0-3958
0-4000
33!
34
0-5542
0-5583
0-5625
0-5667
42!
43
431
43i
43!
44
0-5708
44i
0-5750
0-5792
0-5833
441
44!
45
0-5875
0-5917
0-5958
0-6000
451
361
36!
37
0-6042
0-6083
0-6125
0-6167
371
34i
34i
0-7042
0-7083
0-7125
0-7167
0-7208
0-7250
0-7292
0-7333
521
52i
52f
53
53i
531
53!
54
0-8708
0-8750
0-8792
0-8833
0-8875
0-8917
0-8958
15
0-0039
0-0042
0-9000
16
00044
17
0-0047
18
00050
19
20
0-0053
0-0056
54!
55
0-9042
0-9083
0-9125
0-9167
21
0-0058
0-7542
0-7583
0-7625
0-7667
551
551
55!
56
0-9208
0-9250
0-9292
0-9333
22
00061
00064
461
461
46!
47
0-7708
561
561
56!
57
0-9375
0-9417
0-9458
0-9500
26
27
28
29
30
0-6208
47-1-
0-7875' 571
371
37!
38
0-6250
0-6292
0-6333
471
47!
571
57!
48
0-7917
0-7958
0-8000
0-9542
0-9583
0-9625
0-9667
0-4708
0-4750
0-4792
0-4833
381
0-6375
0-6417
0-6458
0-6500
481
481
48!
49
0-8042
0-8083
0-8125
0-8167
581
581
0-4875
0-4917
0-4958
0-5000
391
39i
0-6542
0-6583
0-6625
0-6667
491
49^
49!
0-8208
0-8250
0-8292
0-8333
591
591
241
24i
0-2542
0-2583
0-2625
0-2667
25i
251
25!
26
0-4208
0-4250
0-4292
0-4333
0-2708
0-2750
0-2792
0-2833
261
261
26!
27
0-4375
0-4417
0-4458
0-4500
0-2875
0-2917
271
271
0-4542
0-4583
0-2958
0-3000
27f
28
0-4625
0-4667
0-3042
0-3083
0-3125
0-3167
281
281
28!
29
0-3208
0-3250
0-3292
0-3333
291
29i
29!
30
33i
33i
42i
42i
00019
0-7375
0-7417
0-7458
0-7500
0-4042
0-4083
0-4125
0-4167
0-2375
0-2417
0-2458
0-2500
24!
25
33
0-5375
0-5417
0-5458
0-5500
Dec. of
degree
34!
35
351
351
35!
36
361
381
38f
39
39f
40
100
451
45!
46
50
0-7750
0-7792
0-7833
541
54i
58
58f
59
59f
60
0-9708
0-9750
0-9792
0-9833
0-9875
0-9917
0-9958
1-0000
23
24
25
0-0067
0-0070
00072
0-0075
0-0078
00081
0-0083
TABLE
Layer-line Separation
2.4.3A
(mm)
vs Identity Period (A)
Translation Period along Rotation Axis as a Function of y, the Layer-line-to-equator Separation

Camera radius: 28*65 mm. I. AgKa: 0-5609
y (mm)
00
01
16078
13-402
7-325
5-053
3-867
3-141
12-373
7-009
4-901
3-779
3-083
11-491
10-727
6-452
4-625
3-615
2-975
10058
6-719
4-759
3-695
3-028
2-573
2-243
1-993
1-799
1-644
2-535
2-215
1-972
1-782
1-630
2-498
2-187
1-517
1-412
1-324
1-249
1-185
1-506
1-403
1-316
1-242
1-179
1-034
0-997
0-2
0-3
8054
5-385
4-056
3-262
14-619
7-672
5-214
3-959
3-200
7
8
2-736
2-363
2-085
2-693
2-332
2-062
2-652
2-301
2-612
2-272
2038
2016
1-871
1-834
1-672
1-817
1-658
4
5
0-4
0-6
0-7
0-8
0-9
9-469
5-978
4-379
3-465
2-874
8-945
5-766
4-266
3-394
2-827
8-476
5-569
4-158
3-327
2-781
2-463
2-161
1-930
1-749
1-603
2-429
2-135
1-910
1-733
1-590
1-494
1-393
1-308
1-235
1-173
1-484
1-384
1-300
1-229
1-473
1-375
1-292
1-222
1-462
1-366
1-285
1-216
1167
1161
1156
1-124
1119
1076
1-072
1030
1114
1067
1026
1109
1063
1022
1104
1059
1019
0-993
0-961
0-990
0-958
0-987
0-955
0-983
0-952
0-929
0-903
0-880
0-859
0-840
0-926
0-901
0-878
0-857
0-838
0-924
0-898
0-876
0-855
0-836
0-821
0-805
0-791
0-778
0-5
6-206
4-499
3-538
2-924
1-951
1-765
2-395
2110
1-891
10
1-702
1-853
1-687
11
14
15
1-565
1-452
1-357
1-277
1-209
1-552
1-442
1-349
1-270
1-203
1-540
1-432
1-340
1-263
1-529
1-422
1-332
1-256
1197
1191
16
17
18
19
1150
1099
1054
1015
1145
1094
1050
1011
1139
1090
1046
1007
1-134
1-085
1-042
1004
1129
1080
1038
1000
20
0-980
0-977
0-973
0-970
0-967
0-964
21
22
23
24
25
0-949
0-921
0-896
0-873
0-853
0-946
0-918
0-894
0-871
0-851
0-943
0-916
0-891
0-869
0-849
0-940
0-913
0-889
0-867
0-847
0-937
0-911
0-887
0-865
0-845
0-934
0-908
0-884
0-863
0-844
0-932
0-906
0-882
26
27
28
29
30
0-835
0-818
0-802
0-788
0-776
0-833
0-816
0-801
0-787
0-774
0-831
0-815
0-800
0-786
0-773
0-829
0-813
0-798
0-784
0-772
0-828
0-811
0-797
0-783
0-824
0-808
0-794
0-771
0-826
0-810
0-795
0-782
0-770
0-781
0-768
0-823
0-807
0-793
0-779
0-767
0-766
0-819
0-804
0-790
0-777
0-765
31
32
33
34
35
0-764
0-753
0-743
0-733
0-725
0-763
0-752
0-742
0-733
0-724
0-761
0-751
0-741
0-760
0-750
0-740
0-732
0-723
0-731
0-722
0-759
0-749
0-739
0-730
0-722
0-758
0-748
0-738
0-729
0-721
0-757
0-747
0-737
0-728
0-720
0-756
0-746
0-736
0-727
0-719
0-755
0-745
0-735
0-727
0-718
0-754
0-744
0-734
0-726
0-718
36
37
38
39
40
0-717
0-709
0-702
0-696
0-690
0-716
0-709
0-702
0-695
0-689
0-715
0-708
0-701
0-695
0-689
0-715
0-707
0-700
0-694
0-688
0-714
0-707
0-700
0-693
0-688
0-713
0-706
0-699
0-693
0-687
0-712
0-705
0-698
0-692
0-686
0-712
0-704
0-698
0-692
0-686
0-711
0-704
0-697
0-691
0-685
0-710
0-703
0-697
41
0-684
0-679
0-674
0-669
0-665
0-684
0-678
0-674
0-669
0-664
0-683
0-678
0-673
0-668
0-664
0-683
0-677
0-673
0-668
0-664
0-682
0-677
0-672
0-668
0-663
0-682
0-676
0-672
0-667
0-663
0-681
0-681
0-676
0-667
0-662
0-675
0-671
0-666
0-662
0-680
0-675
0-670
0-666
0-662
0-679
0-674
0-670
0-665
0-661
0-657
0-653
0-650
0-646
0-660
0-657
0-653
0-649
0-646
0-660
0-656
0-652
0-649
0-646
0-660
0-656
0-652
0-649
0-645
0-659
0-655
0-652
0-648
0-645
0-659
0-655
0-651
0-648
0-645
0-658
0-655
0-651
0-648
0-645
0-658
0-654
0-651
0-647
0-644
0-658
0-654
0-650
0-647
0-644
0-657
0-654
0-650
0-647
0-644
0-643
0-640
0-638
0-635
0-632
0-643
0-640
0-637
0-635
0-632
0-643
0-640
0-637
0-634
0-632
0-642
0-640
0-637
0-634
0-632
0-642
0-639
0-637
0-634
0-642
0-639
0-636
0-633
0-631
0-638
0-636
0-633
0-631
0-641
0-638
0-635
0-633
0-631
0-641
0-631
0-642
0-639
0-636
0-634
0-631
0-641
52
53
54
55
0-638
0-635
0-633
0-630
56
57
58
59
60
0-630
0-628
0-626
0-624
0-622
0-630
0-628
0-625
0-623
0-621
0-630
0-627
0-625
0-623
0-621
0-629
0-627
0-625
0-623
0-621
0-629
0-627
0-625
0-623
0-621
0-629
0-627
0-625
0-623
0-621
0-629
0-626
0-624
0-622
0-620
0-628
0-626
0-624
0-622
0-620
0-628
0-626
0-624
0-622
0-620
0-628
0-626
0-624
0-622
0-620
61
0-620
0-618
0-616
0-615
0-613
0-619
0-618
0-616
0-614
0-613
0-619
0-618
0-616
0-614
0-613
0-619
0-617
0-616
0-614
0-613
0-619
0-617
0-616
0-614
0-612
0-619
0-617
0-615
0-614
0-612
0-619
0-617
0-615
0-614
0-612
0-618
0-617
0-615
0-613
0-612
0-618
0-617
0-615
0-613
0-612
0-618
0-616
0-615
0-613
0-612
0-611
0-611
0-611
0-611
0-611
0-610
0-609
0-607
0-606
0-611
0-610
0-608
0-607
0-606
0-611
0-610
0-609
0-607
0-606
0-610
0-608
0-607
0-606
0-609
0-608
0-607
0-606
0-609
0-608
0-607
0-605
0-609
0-608
0-607
0-605
0-610
0-609
0-608
0-606
0-605
0-610
0-609
0-608
0-606
0-605
0-610
0-609
0-607
0-606
0-605
12
13
42
43
44
45
46
47
48
49
50
51
62
63
64
65
66
67
68
69
70
101
1-616
0-861
0-842
0-671
1-717
1-577
0-691
0-685
0-661
TABLE
2.4.3A {continued)
(mm)

Camera radius: 28-65 mm. II. MoiTa: 0-7107
y (mm)
00
20-372
01
0-2
0-3
0-4
15-678
8-881
6-210
4-788
3-907
14-560
8-513
0-5
0-6
0-7
0-8
0-9
11-333
7-306
5-405
4-301
3-582
10-739
7-057
5-269
4-215
3-523
13-592
8-175
5-860
4-580
3-769
12-745
7-863
5-700
4-483
3-705
11-998
7-574
5-548
4-390
3-642
3-121
2-738
2-446
2-216
2-031
3-077
2-705
2-420
2-196
2-015
3-035
2-673
2-395
2-176
1-999
10-205
6-824
5-139
4-134
4-055
16-982
9-282
6-402
4-899
3-979
6
7
8
9
10
3-467
2-994
2-642
2-371
2-156
3-413
2-954
2-612
2-348
2-137
3-360
2-916
2-583
2-324
2-119
3-309
2-878
2-554
2-302
2-101
3-260
2-842
2-526
2-280
2-083
3-212
2-806
2-499
2-258
2065
3-166
2-772
2-472
2-237
2-048
11
1-983
1-840
1-720
1-619
1-532
1-967
1-827
1-709
1-609
1-524
1-952
1-814
1-698
1-600
1-516
1-937
1-801
1-688
1-591
1-509
1-922
1-789
1-677
1-582
1-501
1-908
1-777
1-667
1-574
1-493
1-894
1-765
1-657
1-565
1-486
1-880
1-754
1-647
1-557
1-479
1-866
1-742
1-638
1-548
1-472
1-853
1-731
1-458
1-393
1-336
1-286
1-242
1-451
1-444
1-430
1-369
1-315
1-267
1-225
1-424
1-363
1-310
1-263
1-221
1-418
1-358
1-305
1-259
1-217
1-352
1-300
1-254
1-213
1-405
1-347
1-295
1-250
1-210
1-399
1-381
1-325
1-277
1-233
1-437
1-375
1-320
1-272
1-229
1-411
1-387
1-331
1-281
1-237
1-195
1-160
1-129
1-101
1-076
1-191
1-188
1-154
1-123
1-184
1-180
1-147
1-118
1-174
1170
1-157
1-126
1099
1096
1-074
1-071
1093
1069
1091
1081
1-198
1-164
1-132
1-104
1-078
1-057
1-055
1-051
1036
1034
1-047
1-026
1-044
1-024
2
3
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
1-202
1-167
1-135
1-107
18-523
9-721
6-606
5016
6030
4*682
3-837
1-151
1-121
1-067
1-177
1-144
1-115
1-088
1-064
1-628
1-540
1-465
1-341
1-291
1-246
1-206
1-141
1-138
1-112
1-086
1-062
1109
1038
1019
1001
1-083
1-060
1042
1-040
1-022
1-004
0-987
1021
1002
0-986
0-972
0-971
0-984
0-969
1-017
1-015
1-053
1-032
1-013
1011
1-049
1-028
1-009
1008
1006
0-999
0-983
0-997
0-981
0-996
0-980
0-994
0-978
0-992
0-977
0-991
0-975
0-989
0-974
0-968
0-954
0-941
0-929
0-918
0-966
0-953
0-940
0-928
0-917
0-965
0-951
0-939
0-927
0-916
0-963
0-950
0-938
0-926
0-915
0-962
0-949
0-936
0-925
0-914
0-961
0-947
0-935
0-924
0-913
0-959
0-946
0-934
0-923
0-912
0-958
0-945
0-933
0-922
0-911
0-957
0-944
0-932
0-921
0-910
0-955
0-942
0-930
0-919
0-909
0-908
0-899
0-890
0-882
0-874
0-907
0-898
0-889
0-881
0-873
0-906
0-897
0-888
0-880
0-873
0-905
0-896
0-888
0-879
0-872
0-904
0-895
0-887
0-879
0-903
0-893
0-885
0-877
0-870
0-902
0-893
0-884
0-876
0-869
0-901
0-900
0-871
0-903
0-894
0-886
0-878
0-871
0-892
0-883
0-876
0-868
0-891
0-883
0-875
0-868
0-865
0-858
0-852
0-846
0-841
0-864
0-858
0-852
0-846
0-840
0-864
0-857
0-851
0-845
0-840
0-863
0-856
0-850
0-845
0-839
0-862
0-856
0-850
0-844
0-839
0-862
0-855
0-849
0-844
0-838
0-861
0-855
0-849
0-843
0-838
0-835
0-830
0-825
0-821
0-817
0-834
0-829
0-825
0-821
0-817
0-834
0-829
0-825
0-820
0-816
0-833
0-829
0-824
0-820
0-816
0-833
0-828
0-824
0-819
0-816
1030
42
43
44
45
0-867
0-860
0-854
0-848
0-842
0-866
0-860
0-853
0-847
0-842
0-866
0-859
0-853
0-847
0-841
46
47
48
49
50
0-837
0-832
0-828
0-823
0-819
0-837
0-832
0-827
0-823
0-819
0-836
0-831
0-827
0-822
0-818
0-836
0-826
0-822
0-818
0-835
0-830
0-826
0-822
0-817
51
0-815
0-811
0-808
0-805
0-801
0-815
0-811
0-808
0-804
0-801
0-814
52
53
54
55
0-807
0-804
0-801
0-814
0-810
0-807
0-804
0-800
0-814
0-810
0-807
0-803
0-800
0-813
0-810
0-806
0-803
0-800
0-813
0-809
0-806
0-803
0-799
0-813
0-809
0-806
0-802
0-799
0-812
0-809
0-805
0-802
0-799
0-812
0-808
0-805
0-802
0-799
56
57
58
59
60
0-798
0-795
0-793
0-790
0-788
0-798
0-795
0-792
0-790
0-787
0-798
0-795
0-792
0-790
0-787
0-797
0-795
0-792
0-789
0-787
0-797
0-794
0-792
0-789
0-787
0-797
0-794
0-791
0-789
0-786
0-797
0-794
0-791
0-789
0-786
0-796
0-793
0-791
0-788
0-786
0-796
0-793
0-791
0-788
0-786
0-796
0-793
0-790
0-788
0-785
61
0-785
0-783
0-781
0-779
0-777
0-785
0-783
0-781
0-778
0-776
0-785
0-782
0-780
0-778
0-776
0-784
0-782
0-780
0-778
0-776
0-784
0-782
0-780
0-778
0-776
0-784
0-782
0-780
0-778
0-776
0-784
0-782
0-779
0-777
0-776
0-784
62
63
64
65
0-779
0-777
0-775
0-783
0-781
0-779
0-777
0-775
0-783
0-781
0-779
0-777
0-775
66
67
68
69
70
0-775
0-773
0-771
0-770
0-768
0-775
0-773
0-771
0-769
0-768
0-774
0-773
0-771
0-769
0-768
0-774
0-772
0-771
0-769
0-767
0-774
0-772
0-774
0-772
0-770
0-769
0-767
0-774
0-772
0-770
0-769
0-767
0-773
0-772
0-770
0-768
0-767
0-773
0-772
0-770
0-768
0-767
0-773
0-771
0-770
0-768
0-767
41
0-811
0-831
0-771
0-769
0-767
102
0-781
TABLE
2.4.3A {continued)
(mm)
Separation
Translation Period along Rotation Axis as a Function of y, the Layer-line-to-equator
Camera radius: 28-65 mm. III. CufiTa: 1-5418
y (mm)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
00
01
0-2
0-3
0-4
0-5
0-6
0-7
0-8
0-9
44-196
22-138
14-804
11-149
8-967
40-183
36-840
20-136
13-889
10-629
8-633
34011
31-587
18-468
29-486
17-735
12-714
9-936
8-177
27-649
17-058
12-366
9-725
8-037
26-028
16-431
24-587
15-850
11-725
9-330
7-770
23-298
15-309
11-430
9-145
7-643
7-521
6-496
5-732
5-144
7-403
6-409
5-667
6-968
6-088
5-420
4-898
4-480
6-868
5-362
4-852
4-443
6-770
5-940
5-306
4-807
4-406
6-676
5-869
4-637
7-179
6-244
5-540
4-993
4-557
7-072
4-678
7-289
6-325
5-603
5-042
4-597
6-584
5-800
5-197
4-720
4-336
4-301
3-991
3-731
3-512
3-324
4-267
3-963
3-707
4-234
3-935
3-684
3-472
3-290
4-202
3-908
4-170
4-108
3-830
3-595
3-396
3-224
4-078
3-804
3-574
3-377
3-208
4-048
3-779
3-553
3-359
3-193
4019
3-256
4-139
3-855
3-617
3-414
3-240
3-118
2-983
2-864
2-759
2-667
3103
089
048
3034
2-958
2-842
2-740
2-649
3-075
2-945
2-831
2-730
2-641
3 061
2-970
2-853
2-750
2-658
2-933
2-821
2-721
2-633
2-921
2-810
2-712
2-624
2-910
2-800
2-703
2-616
2-553
2-483
2-419
2-361
2-309
2-546
2-476
2-413
2-356
2-304
2-539
2-469
2-407
2-350
2-299
2-257
2-214
2-175
2-139
2-106
2-252
2-210
2-171
2-135
2-102
2-075
2-047
2-072
2-044
2021
2019
1-997
1-975
1-995
1-973
1-954
1-935
1-917
1-900
1-884
1-952
1-933
1-915
1-898
1-882
1-868
1-854
1-841
1-829
1-817
21 089
14-331
10-883
8-797
093
3-491
3-307
19-266
13-473
10-387
8-475
3-661
3-452
3-273
13082
10156
8-324
6165
5-480
4-945
4-518
3-881
3-639
3-433
6013
12037
9-523
7-901
5-251
4-763
4-371
3-755
3-532
3-341
3-177
3-162
3-147
021
2-898
2-790
2-693
2-887
2-779
2-684
3-132
2-995
2-875
2-769
2-676
22
23
24
25
2-608
2-531
2-463
2-401
2-345
2-600
2-524
2-456
2-395
2-340
2-592
2-517
2-450
2-389
2-334
2-584
2-510
2-444
2-383
2-329
2-576
2-503
2-437
2-378
2-324
2-569
2-496
2-431
2-372
2-319
2-561
2-489
2-425
2-367
26
27
28
29
30
2-294
2-248
2-206
2-167
2-132
2-289
2-244
2-202
2-164
2-128
2-285
2-239
2-198
2-280
2-235
2-194
2-156
2-122
2-275
2-231
2-190
2-153
2-119
2-271
2-266
2-222
2-182
2-146
2-112
2-261
2-218
2-178
31
2099
2069
2096
2090
2061
2081
2053
2-078
2050
2039
2-034
2-087
2-058
2-031
2-084
2-042
2016
2-014
1-990
2093
2064
2036
2011
2009
2006
2-004
2026
2002
2-024
1-999
1-988
1-986
1-983
1-981
1-979
1-977
1-968
1-948
1-929
1-911
1-895
1-966
1-946
1-927
1-910
1-893
1-964
1-944
1-925
1-908
1-892
1-962
1-942
1-924
1-906
1-890
1-960
1-940
1-922
1-905
1-889
1-958
1-938
1-920
1-903
1-887
1-956
1-936
1-918
1-879
1-865
1-851
1-839
1-827
1-878
1-864
1-850
1-837
1-825
1-876
1-862
1-849
1-836
1-824
1-875
1-861
1-847
1-835
1-823
1-873
1-859
1-846
1-834
1-822
1-872
1-858
1-845
1-832
1-871
1-857
1-821
1-820
1-869
1-855
1-842
1-830
1-819
1-813
1-803
1-793
1-783
1-774
1-812
1-802
1-792
1-782
1-773
1-811
1-801
1-791
1-781
1-773
1-810
1-799
1-790
1-780
1-772
1-809
1-798
1-789
1-780
1-771
1-808
1-797
1-788
1-779
1-770
1-807
1-797
1-787
1-778
1-769
16
17
18
19
20
21
32
33
34
35
1-992
36
37
38
39
40
1-970
1-950
41
1-881
42
43
44
1-866
1-853
1-840
1-828
45
1-931
1-913
1-896
008
2-067
2160
2-125
2-226
2-186
2-149
2-115
2055
2029
2-314
2-142
2109
1-901
1-885
1-844
1-831
46
47
48
49
50
1-816
1-806
1-796
1-786
1-777
1-815
1-805
1-795
1-785
1-776
1-814
1-804
1-794
1-784
1-775
51
52
53
54
55
1-768
1-760
1-753
1-745
1-738
1-768
1-760
1-752
1-745
1-738
1-767
1-759
1-751
1-744
1-737
1-766
1-758
1-750
1-743
1-736
1-765
1-757
1-750
1-743
1-736
1-764
1-756
1-749
1-742
1-735
1-763
1-756
1-748
1-741
1-734
1-763
1-755
1-747
1-740
1-734
1-762
1-754
1-747
1-740
1-733
1-761
1-753
56
57
58
59
60
1-732
1-726
1-720
1-714
1-709
1-731
1-725
1-719
1-713
1-708
1-731
1-724
1-718
1-713
1-707
1-730
1-724
1-718
1-712
1-707
1-729
1-723
1-717
1-712
1-706
1-729
1-723
1-717
1-711
1-706
1-728
1-722
1-716
1-711
1-705
1-727
1-721
1-716
1-710
1-705
1-727
1-721
1-715
1-710
1-704
1-726
1-720
1-714
1-709
1-704
61
1-703
1-698
1-694
1-689
1-685
1-703
1-698
1-693
1-689
1-684
1-702
1-697
1-693
1-688
1-684
1-702
1-697
1-692
1-688
1-684
1-701
1-697
1-692
1-687
1-683
1-701
1-696
1-691
1-687
1-683
1-700
1-696
1-700
1-695
1-691
1-687
1-691
1-686
1-682
1-682
1-699
1-695
1-690
1-686
1-682
1-699
1-694
1-690
1-685
1-681
1-680
1-676
1-672
1-668
1-665
1-679
1-675
1-672
1-668
1-665
1-679
1-675
1-671
1-668
1-664
1-678
1-675
1-671
1-667
1-664
1-678
1-674
1-670
1-667
1-664
1-678
1-674
1-670
1-667
1-663
1-677
1-673
1-670
1-666
1-663
62
63
64
65
66
67
68
69
70
1-681
1-677
1-673
1-669
1-666
1-680
1-676
1-673
1-669
1-666
1-680
1-676
1-672
1-669
1-665
103
1-746
1-739
1-732
TABLE
2.4.3A {continued)
(mm) vs Identity Period (A)

Translation Period along Rotation Axis as a Function of
y, the Layer-line-to-equator Separation
Camera radius: 28-65 mm. IV. NLfiTS: 1-6591
y (mm)
00
01
0-2
0-3
0-4
0-5
47-559
23-823
15-930
11-998
9-650
43-241
36-599
20-732
14-498
11-177
9120
33-990
19-873
14-077
10-929
8-957
31-730
19-084
9-466
39-643
21-668
14-945
11-438
9-290
7-844
6-807
2
3
4
5
22-694
15-422
11-711
0-6
0-7
0-8
0-9
28-008
17-682
12-953
10-248
8-502
26-457
25071
17056
8-800
29-752
18-356
13-306
10-465
8-648
16-473
12-299
9-841
8-225
7-610
6-634
5-897
$-322
4-862
7-498
6-551
5-833
5-271
4-821
7-390
6-470
5-770
5-222
4-781
7-285
6-392
5-710
5-173
4-742
7-184
6-315
5-650
5-126
4-703
13-681
10-692
12-617
10040
8-361
6
7
8093
6-990
7-966
6-897
6169
6098
6029
5-536
5-034
5-480
4-990
5-426
4-946
7-725
6-719
5-962
5-373
4-904
4-592
4-264
3-990
3-757
3-558
4-557
4-234
3-965
3-736
3-540
4-522
4-205
3-940
3-715
3-522
4-487
4-177
3-916
3-694
3-504
4-454
4-149
3-892
3-674
3-486
4-421
4-121
3-869
3-654
3-469
4-388
4-094
3-846
3-634
3-452
4-356
3-355
3-209
3-082
2-969
2-870
3-339
3-196
3-309
3-169
3-047
2-938
2-842
3-294
3-156
3-035
2-928
2-833
3-280
3-144
024
2-959
2-860
3-324
3-183
3-058
2-948
2-851
3131
3013
2-918
2-824
2-908
2-815
2-764
2-686
2-616
2-553
2-495
2-756
2-679
2-609
2-547
2-490
2-748
2-671
2-603
2-541
2-485
2-740
2-664
2-596
2-535
2-479
2-732
2-657
2-590
2-529
2-474
10
4-628
4-294
11
12
13
14
15
4015
3-779
3-577
16
17
18
19
3-403
3-251
3-118
3-386
3-237
3-371
3-223
3106
002
2-991
3-094
2-980
2-879
070
4067
3-823
3-615
3-435
7-085
6-241
5-592
5080
4-665
4-325
4-041
3-801
3-596
3-419
3-265
20
2-898
2-889
21
22
23
24
25
2-806
2-724
2-650
2-584
2-523
2-798
2-716
2-643
2-577
2-518
2-512
2-629
2-565
2-506
2-772
2-693
2-623
2-559
2-501
26
27
28
29
30
2-469
2-419
2-374
2-332
2-294
2-464
2-414
2-369
2-328
2-290
2-458
2-410
2-365
2-324
2-287
2-453
2-405
2-361
2-320
2-283
2-448
2-400
2-357
2-317
2-280
2-443
2-396
2-352
2-313
2-276
2-438
2-391
2-348
2-309
2-273
2-433
2-387
2-344
2-305
2-269
2-429
2-382
2-340
2-301
2-266
2-424
2-378
2-336
2-298
2-262
31
2-259
2-227
2-197
2-256
2-224
2-194
2-167
2-142
2-252
2-221
2-249
2-218
2-189
2-162
2-137
2-246
2-215
2-186
2-159
2-134
2-243
2-212
2-183
2-157
2-132
2-239
2-209
2-180
2-154
2-233
2-203
2-175
2-149
2-125
2-230
2-200
2-172
2-146
2130
2-236
2-206
2-178
2-151
2-127
2-114
2-111
2109
2092
2090
2070
2051
2-105
2-084
2103
2-088
2-068
2-107
2-086
2064
2-034
2-032
2066
2048
2031
2100
2080
2060
32
33
34
35
2170
2-144
2120
2098
36
37
38
39
2-078
2-118
2-789
2-709
2-636
2-571
2191
2-164
2-139
2096
2076
2-116
2-094
2-074
2-057
2055
40
2059
2041
2039
2-037
41
2-024
2-022
42
2008
2007
2021
2005
43
44
45
1-994
1-980
1-967
1-992
1-978
1-966
46
47
48
49
50
1-955
1-943
1-932
1-922
1-912
1-953
1-942
1-931
1-921
1-911
1-930
1-920
1-910
51
1-903
1-894
1-886
1-878
1-871
1-902
1-893
1-885
1-877
1-870
56
57
58
59
60
1-864
1-857
1-850
1-844
1-839
61
62
63
64
65
66
67
68
69
70
52
53
54
55
1-991
1-977
1-964
2-781
2-701
2-072
2-053
2-036
2050
2123
2029
2-082
2-062
2-044
2-027
2026
2-046
2-042
2019
2-018
2016
2014
2013
2002
2011
2-004
1-989
1-976
2010
1-988
1-974
1-962
2-001
1-987
1-973
1-961
1-999
1-985
1-972
1-959
1-998
1-984
1-995
1-981
1-971
1-958
1-996
1-982
1-969
1-957
1-963
1-968
1-956
1-952
1-951
1-941
1-940
1-929
1-919
1-909
1-950
1-939
1-928
1-918
1-908
1-949
1-937
1-927
1-917
1-907
1-948
1-936
1-926
1-916
1-907
1-946
1-935
1-925
1-915
1-906
1-945
1-934
1-924
1-914
1-905
1-944
1-933
1-923
1-913
1-904
1-900
1-892
1-884
1-876
1-869
1-899
1-893
1-884
1-877
1-869
1-891
1-883
1-875
1-868
1-899
1-890
1-882
1-874
1-867
1-898
1-889
1-896
1-888
1-880
1-872
1-865
1-895
1-887
1-879
1-874
1-866
1-897
1-888
1-880
1-873
1-866
1-863
1-856
1-850
1-844
1-838
1-862
1-856
1-849
1-843
1-837
1-862
1-855
1-849
1-843
1-837
1-861
1-854
1-848
1-860
1-854
1-847
1-842
1-836
1-841
1-836
1-860
1-853
1-847
1-841
1-835
1-859
1-852
1-846
1-840
1-835
1-858
1-852
1-846
1-840
1-834
1-839
1-833
1-833
1-828
1-823
1-818
1-813
1-832
1-827
1-822
1-817
1-813
1-832
1-827
1-822
1-817
1-812
1-830
1-825
1-820
1-815
1-810
1-829
1-824
1-819
1-814
1-810
1-829
1-824
1-819
1-814
1-810
1-828
1-823
1-818
1-814
1-809
1-809
1-804
1-800
1-796
1-793
1-808
1-804
1-800
1-796
1-792
1-808
1-804
1-800
1-796
1-792
1-806
1-802
1-798
1-794
1-790
1-806
1-802
1-798
1-794
1-790
1-805
1-801
1-797
1-793
1-790
1-805
1-801
1-797
1-793
1-789
1-901
1-831
1-831
1-826
1-826
1-821
1-821
1-816
1-812
1-816
1-811
1-830
1-825
1-820
1-815
1-811
1-807
1-803
1-799
1-795
1-792
1-807
1-803
1-799
1-795
1-807
1-802
1-798
1-795
1-791
1-791
104
1-881
1-871
1-864
1-858
1-851
1-845
TABLE
2.4.3A (continued)
(mm)
Separation
Translation Period along Rotation Axis as a Function of y, the Layer-line-to-equator
1-7902
CoKa:
28-65
mm.
V.
Camera radius:
(mm)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
00
01
0-2
0-3
0-4
0-5
0-6
0-7
0-8
0-9
51-317
25-705
17-189
12-946
10-412
46-657
24-487
16-640
12-636
10-214
42-775
23-380
36-676
21-444
12060
9-841
11-792
9-665
28-548
18-403
13-614
10-833
10024
32-103
19-806
14-358
11-292
9-331
27-052
12-341
34-237
20-592
14-762
11-536
9-495
30-221
16126
39-491
22-370
15-644
8-733
7-542
6-656
5-973
5-432
8-596
7-442
6-580
5-913
5-384
8-463
7-344
6-505
5-855
5-337
8-335
7-250
6-433
5-798
5-291
8091
7-974
7-068
6-294
5-688
5-202
6-981
6-226
5-634
5-159
4-805
4-476
4-200
3-964
3-762
4-770
4-447
4-174
3-943
3-743
4-735
4-417
4-149
3-587
3-434
3-300
3-181
3-076
3-571
4-994
4-634
4-332
4-077
3-859
4-955
4-601
4-305
4-917
4-569
4-278
4-879
4-538
4-054
3-839
4031
4-008
3-800
3-671
3-508
3-365
3-239
3-127
3-654
3-493
3-352
3-227
3-117
3-637
3-478
3-338
3-216
3-107
3-620
3-463
3-325
3-204
3-028
2-939
2-860
2-788
2-723
3-820
4-251
096
15190
8-211
7-158
6-362
5-742
5-246
4-842
4-507
4-225
3-986
3-781
3-603
3-449
3-313
3-193
3
086
9022
17-775
13-271
10-618
8-875
7-861
6-897
6-161
7-752
6-814
7-645
6-734
6097
6034
5-582
5-531
5-075
5-481
4-700
4-388
4-125
3-900
3-707
4-667
4-360
3-539
3-392
3-263
3066
3-555
3-406
3-275
3-159
3-057
3-047
3-523
3-378
3-251
3-138
3-037
2-974
2-890
2-816
2-748
2-687
2-965
2-883
2-808
2-742
2-681
2-956
2-875
2-801
2-735
2-675
2-948
2-867
2-795
2-729
2-669
2-631
2-620
2-571
2-525
2-483
2-445
2-615
2-566
2-521
2-479
2-441
3-420
3-287
3-170
009
3000
2-852
2-781
2-717
2-923
2-845
2-774
2-710
2-914
2-837
2-767
2-704
2-906
2-830
2-761
2-698
2-658
2-605
2-557
2-512
2-471
2-653
2-600
2-552
2-508
2-468
2-647
2-595
2-547
2-504
2-464
2-642
2-590
2-543
2-500
2-460
2-636
2-585
2-538
2-495
2-456
2-452
2-626
2-575
2-529
2-487
2-449
2-427
2-393
2-362
2-332
2-306
2-423
2-390
2-359
2-330
2-303
2-420
2-386
2-356
2-327
2-300
2-416
2-383
2-353
2-324
2-298
2-413
2-380
2-350
2-321
2-295
2-410
2-377
2-347
2-319
2-293
2-406
2-374
2-344
2-316
2-290
2-271
2-248
2-227
2-208
2-269
2-246
2-225
2-206
2-187
2-266
2-244
2-223
2-204
2-186
2170
2169
2-153
2-138
2-124
2113
2-154
2-139
2-125
2-112
2-098
2086
31
2-311
2-288
2-264
2-242
2-221
2-202
2-285
2-262
2-240
2-219
2-200
2-283
2-260
2-238
2-217
2-198
2-281
2-257
2-236
2-215
2-196
2-278
2-255
2-233
2-213
2-195
2-276
2-253
2-231
2-211
2-193
2-273
2-251
2-229
2-184
2-167
2-182
2-165
2-179
2-162
2-147
2-132
2-118
2-177
2-161
2-145
2-130
2-117
2-175
2-159
2-144
2- 129
2-115
2-174
2-157
2-142
2-128
2-114
41
42
43
44
45
46
47
48
49
50
2151
2136
2150
2-180
2-164
2-148
2-135
2133
2-122
2121
2-119
2-109
2-097
2-085
2-074
2-063
2-580
2-534
2-491
2-210
2-191
2100
2080
2069
2059
2-088
2-077
2-087
2-076
2066
2056
2065
2049
2040
2032
2049
2039
2031
2-048
2-038
2-047
2-038
2046
2030
2029
2-023
2-022
2-015
2-022
2-014
2-021
2-084
2-073
2-083
2-072
2-081
2-071
2062
2061
2060
2-078
2-067
2-057
2050
2041
2026
2018
2-051
2-042
2-033
2-025
2-017
2016
2015
2010
2003
2009
2002
2009
2001
2008
2001
2-007
2006
2-004
2000
1-997
1-990
1-984
1-996
1-989
1-983
1-995
1-989
1-983
1-995
1-988
1-982
1-994
1-988
1-981
1-993
1-987
1-981
1-999
1-993
1-986
1-980
62
63
64
65
1-978
1-972
1-967
1-961
1-956
1-977
1-972
1-966
1-977
1-971
1-966
1-960
1-955
1-976
1-970
1-965
1-960
1-955
1-975
1-970
1-964
1-959
1-954
66
67
68
69
70
1-952
1-947
1-943
1-938
1-934
1-951
1-947
1-951
1-950
1-946
1-941
1-937
1-933
1-950
1-945
2-011
61
1-961
1-956
1-942
1-938
1-934
1-946
1-942
1-938
1-934
2-126
2089
2-104
2-092
56
57
58
59
60
2-141
2101
2105
2093
2-032
2-024
2-172
2-156
2103
2091
2079
2068
2058
2106
2094
2-052
2-043
2-034
52
53
54
55
2189
2099
2095
2-108
2-053
2-044
2-035
2-027
2-018
51
3-880
3-689
2-430
2-396
2-365
2-335
2-308
40
3149
4101
3019
2-434
2-399
2-368
2-338
36
37
38
39
3-921
3-725
5034
2-931
2-438
2-403
2-371
2-341
2-313
32
33
34
35
5116
2-982
2-898
2-823
2-754
2-693
2-664
2-610
2-516
2-475
13-976
11-058
9-174
2-991
26
27
28
29
30
2-561
19079
1-941
1-937
1-933
105
2-055
2-037
2-028
2110
2-075
2-064
2-054
2045
2036
2-027
2019
2012
2006
2020
2012
2005
1-999
1-992
1-986
1-980
1-998
1-991
1-985
1-979
1-997
1-959
1-954
1-974
1-969
1-963
1-958
1-953
1-974
1-968
1-963
1-958
1-953
1-973
1-968
1-962
1-957
1-953
1-973
1-967
1-962
1-957
1-952
1-949
1-945
1-940
1-936
1-932
1-949
1-944
1-940
1-936
1-932
1-948
1-944
1-940
1-936
1-932
1-948
1-943
1-939
1-935
1-947
1-943
1-939
1-935
1-931
1-931
1-975
1-969
1-964
2013
2004
1-991
1-984
1-978
TABLE
2.4.3A {continued)
(mm)

Camera radius: 28-65 mm. VI. FeJSTfi: 1-9373
y (mm)
00
01
0-2
0-3
0-4
0-5
0-6
0-7
0-8
0-9
55-533
27-817
18-601
14-009
11-268
50-491
39-690
23-206
16-438
34-741
29-274
19-236
14-362
13-051
10-649
12-761
21-434
15-538
12-220
11053
10-459
22-284
15-975
12-484
10-275
10098
32-704
20-646
15-124
11-966
9-928
30-894
19-916
17-451
13-355
10-847
42-736
24-208
16-929
37050
26-499
18-008
13-674
46-290
25-301
9-451
8-162
7-203
6-464
5-878
9-302
8-053
7-120
6-399
5-826
9-159
7-948
7-040
6-336
5-776
9020
7-846
6-962
6-274
5-726
8-886
7-746
6-885
6-214
5-677
8-755
7-649
6-811
6-155
5-630
8-629
7-555
6-738
8-507
7-464
6-667
6097
6041
5-583
5-537
8-388
7-374
6-598
5-985
5-492
5-405
5-014
4-688
4-412
4-176
5-362
4-979
4-659
4-387
4-155
5-321
4-944
4-629
4-362
5-240
4-877
4-572
4-314
4-092
5-200
4-844
4-545
4-290
4-071
5-162
4-812
4-517
4-267
5-124
4-780
4-490
4-243
5-087
4-749
4-464
4-221
4133
5-280
4-910
4-601
4-338
4-112
4051
4031
4011
3-973
3-796
3-641
3-505
3-384
3-954
3-780
3-627
3-492
3-373
3-936
3-764
3-613
3-480
3-362
3-917
3-748
3-599
3-467
3-351
3-899
3-732
3-585
3-455
3-340
3-882
3-716
3-571
3-443
3-329
3-864
3-701
3-558
3-431
3-318
3-847
3-686
3-544
3-419
3-308
3-830
3-407
3-297
3-813
3-656
3-518
3-396
3-287
3-277
3-181
3-094
3-257
3-163
3-078
3-002
2-933
3-247
3-154
3-227
3-136
3-199
3-111
3-190
3-103
3039
3032
3024
2-914
3-218
3-128
3-047
2-974
2-907
3-208
3-119
2-995
2-927
3-237
3-145
3-062
2-988
2-920
2-967
2-901
2-960
2-895
2-953
2-889
2-859
2-803
2-752
2-705
2-662
2-853
2-798
2-747
2-700
2-658
2-847
2-792
2-742
2-696
2-654
2-841
2-787
2-737
2-692
2-650
2-836
2-782
2-733
2-687
2-646
2-830
2-777
2-728
2-683
2-642
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
14-733
11-724
9-763
3-671
3-531
11-491
9-604
8-273
7-287
6-530
5-931
5-448
5050
4-718
4-438
4-198
3-992
25
2-946
3-267
3-172
3-086
3-009
2-940
26
27
28
29
30
2-883
2-825
2-772
2-723
2-679
2-877
2-819
2-767
2-719
2-674
2-871
2-814
2-762
2-714
2-670
2-865
2-808
2-757
2-709
2-666
31
32
33
34
35
2-638
2-600
2-565
2-533
2-504
2-634
2-597
2-562
2-530
2-501
2-630
2-593
2-559
2-527
2-498
2-626
2-589
2-556
2-524
2-495
2-622
2-586
2-552
2-521
2-492
2-619
2-582
2-549
2-518
2-489
2-615
2-579
2-546
2-515
2-487
2-611
2-576
2-543
2-512
2-484
2-608
2-572
2-540
2-509
2-481
2-604
2-569
2-536
2-506
2-479
36
37
38
39
40
2-476
2-450
2-426
2-404
2-383
2-473
2-448
2-424
2-402
2-381
2-471
2-445
2-422
2-400
2-379
2-468
2-443
2-419
2-397
2-377
2-465
2-440
2-417
2-395
2-375
2-463
2-438
2-415
2-393
2-373
2-460
2-436
2-413
2-455
2-431
2-408
2-391
2-371
2-458
2-433
2-410
2-389
2-369
2-453
2-428
2-406
2-385
2-365
41
42
43
44
45
2-363
2-345
2-328
2-312
2-297
2-361
2-343
2-326
2-310
2-295
2-360
2-342
2-325
2-309
2-294
2-358
2-340
2-323
2-307
2-292
2-356
2-338
2-321
2-306
2-291
2-354
2-336
2-320
2-304
2-289
2-352
2-335
2-318
2-303
2-288
2-350
2-333
2-316
2-301
2-286
2-349
2-331
2-315
46
47
48
49
50
2-282
2-269
2-256
2-244
2-233
2-281
2-268
2-255
2-243
2-232
2-280
2-266
2-254
2-242
2-278
2-265
2-252
2-241
2-229
2-277
2-264
2-251
2-239
2-228
2-275
2-262
2-250
2-238
2-227
2-274
2-271
2-249
2-237
2-226
2-273
2-260
2-248
2-236
2-225
51
52
53
54
55
2-222
2-212
2-202
2-193
2-184
2-221
2-211
2-201
2-220
2-210
2-200
2-219
2-209
2-191
2-183
2-190
2-182
2-217
2-207
2-198
2-189
2-180
2-216
2-206
2-197
2-188
2-179
2-215
2-205
2-192
2-184
2-218
2-208
2-198
2-190
2-181
56
57
58
59
60
2-176
2-168
2-161
2-154
2-147
2-175
2-167
2-174
2-167
2-159
2-152
2-145
2-174
2-166
2-159
2-152
2-145
2-173
2-165
2-158
2-172
2-164
2-157
2-171
2-163
2151
2150
2-144
2-144
2-171
2-164
2-156
2-149
2-143
61
2-140
2-134
2-128
2-123
2-117
2-140
2-134
2-128
1-122
2-117
2-139
2-133
2-127
2-121
2116
2-138
2-132
2-126
2-121
2-116
2-138
2-132
2-126
2-120
2-115
2-120
2-114
2-112
2-111
2111
2110
2-110
2109
2107
2102
2098
2093
2-106
2-106
2102
2097
2101
2-106
2-101
2-105
2-100
2096
2105
2100
2096
2095
2099
2095
2-092
2-092
2-091
2-091
22
23
24
62
63
64
65
66
67
68
69
70
3017
2160
2-153
2-146
2-093
2-231
2-097
2-092
3070
2199
106
3055
2-981
2-137
2-131
2-125
2-261
2-137
2-131
2-125
2-119
2196
2-187
2-179
2156
2-149
2-142
2-136
2130
2-124
2119
2-114
2-113
2-109
2-104
2108
2104
2099
2095
2090
2-387
2-367
2-300
2-285
2-347
2-330
2-313
2-298
2-284
2-259
2-246
2-235
2-224
2-270
2-257
2-245
2-234
2-223
2-214
2-204
2-195
2-186
2-178
2-213
2-203
2-194
2-185
2-177
2-170
2-162
2-155
2-148
2-142
2-169
2-161
2-154
2-147
2-141
2-135
2-129
2-124
2-118
2-113
2-135
2-129
2-123
2-118
2-112
2-108
2-107
2-103
2-098
2103
2099
2094
2090
2094
2089
TABLE
2.4.3A (continued)
(mm)

Camera radius: 28-65 mm. VII. CrKa: 2-2909 A
0-0
01
0-2
0-3
0-4
0-5
0-6
65-669
32-894
21-996
16-566
13-324
59-707
31-336
21-294
54-739
29-919
20-637
15-793
12-827
50-536
28-626
46-934
27-441
43-813
26-351
20019
19-438
15-434
12-593
15091
18-891
14-763
12-151
41-082
25-346
18-374
14-450
11176
11000
10
9-523
8-420
7-567
6-890
10-666
9-278
8-232
7-419
6-771
10-507
9-651
8-518
7-644
6-951
10-830
9-399
8-325
7-492
6-830
11
6-391
12
13
14
15
5-930
5-544
5-218
4-939
6-341
5-888
5-509
5-188
6-243
5-807
5-440
4-913
6-292
5-847
5-474
5-158
4-888
16
17
18
19
4-698
4-489
4-306
4-145
20
4002
4-676
4-470
4-289
4-130
3-989
4-654
4-451
4-272
4-115
3-975
y (mm)
1
2
3
4
5
6
7
8
21
22
23
24
25
26
27
28
29
30
16170
13071
3-875
3-761
3-659
3-567
3-484
3-863
3-751
3-650
3-559
3-476
3-851
3-409
3-340
3-278
3-220
3-402
3-334
3-272
3-215
3168
3163
3-395
3-327
3-266
3-209
3-158
3-740
3-640
3-550
3-469
12-368
11-941
0-8
0-9
38-673
24-415
17-885
14-150
11-740
36-533
23-551
17-422
13-863
11-545
34-618
22-746
0-7
16-983
13-588
11-357
10-204
8-934
7-968
7-210
6-602
10060
8-142
7-348
6-713
10-353
9-045
8-054
7-278
6-657
8-826
7-884
7-143
6-547
9-920
8-720
7-802
7-078
6-494
9-783
8-618
7-722
6196
6150
6104
6059
6015
5-767
5-407
5-728
5-374
5-690
5-342
5-653
5-310
5129
5101
5073
5 045
5018
4-863
4-838
4-814
4-790
4-767
5-616
5-279
4-991
4-744
5-972
5-580
5-248
4-965
4-721
4-632
4-432
4-256
4-611
4-413
4-239
4-341
4191
4-175
4086
3-949
4-043
3-912
4029
3-962
4-569
4-376
4-207
4-057
3-924
4-549
4-358
4100
4-590
4-395
4-223
4-071
3-937
3-899
3-887
3-828
3-719
3-621
3-533
3-453
3-817
3-709
3-612
3-525
3-446
3-805
3-699
3-603
3-516
3-438
3-794
3-689
3-594
3-508
3-431
3-783
3-679
3-585
3-500
3-423
3-772
3-669
3-576
3-492
3-416
3-381
3-374
3-308
3-248
3-367
3-302
3-243
3-188
3-138
3-360
3-296
3-237
3-353
3-290
3129
3-347
3-284
3-226
3-173
3-124
3092
3050
3011
3-088
3083
3079
046
3-042
3007
3003
3-840
3-730
3-631
3-542
3-461
3-388
3-321
3-260
3-204
3153
9160
3-314
3-254
3- 199
3-148
3193
3143
3183
3133
4-529
3-231
3-178
7014
6-442
4-509
4-323
4160
4016
3030
3110
3066
3026
3106
3062
3022
3101
2-992
2-957
2-988
2-954
2-985
2-950
2-981
2-978
2-944
2-974
2-971
2-947
2-941
2-937
2-967
2-934
3-038
2-999
2-964
2-931
2-928
2-897
2-869
2-843
2-818
2-925
2-894
2-840
2-815
2-921
2-891
2-864
2-837
2-813
2-918
2-889
2-861
2-835
2-811
2-915
2-886
2-858
2-832
2-808
2-912
2-883
2-856
2-830
2-8C6
2-909
2-880
2-853
2-828
2-804
2-906
2-877
2-850
2-825
2-802
2-903
2-874
2-848
2-823
2-799
2-900
2-872
2-845
2-820
2-797
2-795
2-773
2-753
2-734
2-716
2-792
2-771
2-751
2-732
2-714
2-790
2-769
2-749
2-730
2-712
2-788
2-767
2-747
2-728
2-711
2-786
2-765
2-745
2-726
2-709
2-784
2-763
2-743
2-725
2-707
2-782
2-761
2-741
2-723
2-705
2-779
2-759
2-739
2-721
2-704
2-777
2-757
2-737
2-719
2-702
2-775
2-755
2-736
2-717
2-700
2-699
2-683
2-668
2-654
2-640
2-697
2-681
2-666
2-652
2-639
2-696
2-680
2-665
2-651
2-638
2-694
2-678
2-664
2-650
2-636
2-692
2-677
2-662
2-648
2-635
2-691
2-675
2-661
2-647
2-689
2-674
2-659
2-646
2-633
2-688
2-672
2-658
2-644
2-631
2-686
2-671
2-656
2-643
2-630
2-684
2-669
2-655
2-642
2-629
2-626
2-614
2-603
2-592
2-582
2-625
2-613
2-602
2-591
2-581
2-624
2-612
2-623
2-611
2-600
2-589
2-579
2-621
55
2-628
2-616
2-604
2-593
2-583
2-610
2-599
2-588
2-578
2-620
2-609
2-598
2-587
2-577
2-619
2-608
2-597
2-586
2-576
2-618
2-606
2-595
2-585
2-575
2-617
2-605
2-594
2-584
2-574
56
57
58
59
60
2-573
2-564
2-555
2-547
2-539
2-572
2-563
2-554
2-546
2-538
2-571
2-562
2-553
2-545
2-537
2-570
2-561
2-553
2-544
2-536
2-569
2-560
2-552
2-543
2-536
2-569
2-559
2-551
2-543
2-535
2-568
2-559
2-550
2-542
2-534
2-567
2-558
2-549
2-541
2-533
2-566
2-557
2-548
2-540
2-532
2-565
2-556
2-548
2-539
2-532
61
2-531
62
63
64
65
2-524
2-517
2-510
2-504
2-530
2-523
2-516
2-509
2-503
2-529
2-522
2-515
2-509
2-502
2-529
2-521
2-515
2-508
2-502
2-528
2-521
2-514
2-507
2-501
2-527
2-520
2-513
2-507
2-500
2-527
2-519
2-513
2-506
2-500
2-526
2-519
2-512
2-505
2-499
2-525
2-518
2-511
2-505
2-499
2-524
2-517
2-511
2-504
2-498
66
67
68
69
70
2-497
2-492
2-486
2-481
2-475
2-497
2,491
2-485
2-480
2-475
2-496
2-490
2-485
2-479
2-474
2-496
2-490
2-484
2-479
2-474
2-495
2.489
2-484
2-478
2-473
2-494
2-489
2-483
2-478
2-473
2-494
2-488
2-483
2-477
2-472
2-493
2-488
2-482
2-477
2-472
2-493
2-487
2-482
2-476
2-471
2-492
2-486
31
3119
3-115
32
3-075
3-034
2-996
2-960
3071
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
2866
2-601
2-590
2-580
3-097
3-058
3054
3014
3018
107
2-634
2-481
2-476
2-471
TABLE
2.4.3B
(mm)
Camera
y
radius:
3000 mm.
(mm)
00
01
16-836
8-432
5-637
4-244
3-412
15-308
8-032
5-457
4-142
3-347
14-034
7-669
5-288
12-956
7-338
12-032
130
4046
4-981
3-865
3-284
3-953
3-224
3166
2-860
2-468
2-177
1-952
1-774
2-815
2-435
2-152
1-932
1-758
2-771
2-403
2-729
2-372
2-688
2-342
2-127
1-913
1-742
2104
2080
1-894
1-727
1-616
1-500
1-402
1-319
1-248
1-604
1-489
1-393
1-591
15
1-629
1-510
1-411
1-326
1-254
1-311
1-241
16
17
1-192
1-138
1186
1180
1-133
1-128
18
1090
1081
1041
2
3
4
5
6
7
8
9
10
11
12
13
14
0-2
0-3
5-
1-479
1-384
1-304
1-235
0-4
I.
y,
the Layer-line-to-equator Separation

0-5609
AgKa:
0-5
0-6
0-7
0-8
0-9
9-365
8-874
5-829
4-351
3-480
2-907
11-232
6-754
4-840
10-532
6-496
4-708
3-781
3-701
9-914
6-257
4-582
3-624
3110
3-057
3005
4-464
3-550
2-955
2-611
2-284
2-573
2-256
2-537
2-229
2035
2014
1-876
1-712
2-649
2-313
2-058
1-858
1-698
1-840
1-684
1-823
1-670
1-993
1-806
1-656
1-579
1-468
1-375
1-296
1-228
1-567
1-458
1-367
1-289
1-222
1-555
1-448
1-358
1-282
1-216
1-544
1-439
1-350
1-275
1-210
1-532
1-429
1-342
1-268
1-204
1-521
1-169
1-118
1-073
1-033
1164
1113
1069
1029
1159
1108
1064
1026
1-153
1148
1099
1056
1018
1143
1095
1052
1015
7034
6036
2-502
2-203
1-972
1-790
1-643
1-420
1-334
1-261
1198
19
1-048
20
1011
1086
1044
1008
1004
1-175
1-123
1-077
1-037
1-001
0-997
0-994
0-991
0-988
0-984
0-981
21
0-975
0-946
0-919
0-896
0-874
0-972
0-943
0-917
0-893
0-872
0-969
0-940
0-914
0-891
0-870
0-966
0-938
0-912
0-889
0-868
0-963
0-935
0-910
0-887
0-866
0-960
0-932
0-907
0-885
0-864
0-957
0-930
0-905
0-882
0-862
0-954
0-927
0-902
0-880
0-860
0-951
22
23
24
25
0-978
0-948
0-922
0-898
0-876
0-924
0-900
0-878
0-858
26
27
28
29
30
0-856
0-838
0-822
0-807
0-793
0-855
0-837
0-820
0-806
0-792
0-853
0-835
0-819
0-804
0-791
0-851
0-833
0-817
0-803
0-789
0-849
0-832
0-816
0-801
0-788
0-847
0-830
0-814
0-800
0-787
0-845
0-828
0-813
0-799
0-785
0-844
0-827
0-797
0-784
0-842
0-825
0-810
0-796
0-783
0-840
0-824
0-808
0-795
0-782
31
0-781
0-778
0-767
0-756
0-746
0-737
0-777
0-766
0-755
0-745
0-736
0-776
0-764
0-754
0-744
0-735
0-775
0-763
0-753
0-743
0-734
0-773
0-762
0-752
0-742
0-734
0-771
0-769
0-758
0-748
0-739
0-779
0-768
0-757
0-747
0-738
0-772
32
0-761
0-751
0-741
0-733
0-760
0-750
0-741
0-770
0-759
0-749
0-740
0-732
0-731
0-728
0-721
0-713
0-706
0-700
0-728
0-720
0-712
0-706
0-699
0-727
0-719
0-712
0-705
0-699
0-726
0-718
0-704
0-698
0-725
0-718
0-710
0-704
0-697
0-724
0-717
0-710
0-703
0-697
0-724
0-716
0-709
0-702
0-696
0-723
0-715
0-708
0-702
0-696
0-692
0-687
0-692
0-686
0-691
0-685
0-680
0-676
0-690
0-685
0-680
0-675
0-671
0-690
0-684
0-679
0-675
0-670
0-666
0-662
0-658
0-654
33
34
35
1104
1060
1022
0-811
38
39
0-730
0-722
0-715
0-708
40
0-701
0-729
0-721
0-714
0-707
0-700
41
0-695
0-689
0-684
0-679
0-674
0-694
0-689
0-683
0-678
0-674
0-694
0-688
0-683
0-678
0-673
0-693
0-688
0-682
0-677
0-673
0-693
0-687
0-682
0-677
0-672
0-681
0-681
0-676
0-672
0-676
0-671
0-671
46
47
48
49
50
0-670
0-665
0-669
0-665
0-658
0-654
0-669
0-665
0-661
0-657
0-654
0-657
0-653
0-668
0-664
0-660
0-657
0-653
0-668
0-664
0-660
0-656
0-653
0-668
0-663
0-660
0-656
0-652
0-667
0-663
0-659
0-656
0-652
0-667
0-663
0-659
0-655
0-652
0-666
0-662
0-658
0-655
0-651
0-651
51
53
0-651
0-648
0-645
0-650
0-647
0-644
0-650
0-647
0-644
0-650
0-647
0-644
54
55
0-642
0-639
0-641
0-639
0-641
0-638
0-641
0-638
0-649
0-646
0-643
0-641
0-638
0-649
0-646
0-643
0-640
0-638
0-649
0-646
0-643
0-640
0-637
0-648
0-645
0-642
0-640
0-637
0-648
0-645
0-642
0-639
0-637
0-648
0-645
0-642
0-639
0-637
56
57
0-636
0-634
0-631
0-629
0-627
0-636
0-634
0-636
0-633
0-631
0-631
0-629
0-627
0-629
0-627
0-636
0-633
0-631
0-629
0-626
0-635
0-633
0-631
0-628
0-626
0-635
0-633
0-630
0-628
0-626
0-635
0-632
0-630
0-628
0-626
0-635
0-632
0-630
0-628
0-626
0-634
0-632
0-630
0-628
0-625
0-634
0-632
0-629
0-627
0-625
62
63
64
65
0-625
0-623
0-621
0-619
0-618
0-625
0-623
0-621
0-619
0-618
0-625
0-623
0-621
0-619
0-617
0-624
0-623
0-621
0-619
0-617
0-624
0-622
0-621
0-619
0-617
0-624
0-622
0-620
0-619
0-617
0-624
0-622
0-620
0-618
0-617
0-624
0-622
0-620
0-618
0-617
0-623
0-622
0-620
0-618
0-616
0-623
0-621
0-620
0-618
0-616
66
67
68
69
70
0-616
0-615
0-613
0-612
0-610
0-616
0-614
0-613
0-611
0-610
0-616
0-614
0-613
0-611
0-610
0-616
0-614
0-613
0-615
0-614
0-612
0-611
0-610
0-615
0-614
0-612
0-615
0-614
0-612
0-611
0-609
0-615
9-614
0-612
0-611
0-609
0-615
0-613
0-612
0-611
0-609
0-615
0-613
0-612
0-610
0-609
36
37
42
43
44
45
52
58
59
60
61
0-661
0-661
0-611
0-610
108
0-711
0-611
0-610
TABLE
2.4.3B {continued)
(mm)
Camera
radius: 30 00
mm.
00
01
0-2
0-3
0-4
21-333
10-684
7-142
5-377
4-323
19-396
10-178
6-914
5-249
4-241
17-782
9-717
16-416
9-297
6-500
5-009
15-246
8-912
6-311
4-898
4085
3-624
3-128
2-758
2-473
2-247
3-567
3-458
2-726
2-448
2-227
3-512
3-045
2-696
2-424
2-208
2-064
1-914
2-048
1-900
1-776
2-032
1-887
1-765
1-671
1-581
1-661
1-503
1-435
1-376
1-323
1-277
1-239
1-202
1-168
1-235
1138
1110
1-135
1108
26
27
1-085
1-083
1062
28
29
30
y (mm)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
1-787
1-681
1^589
1-510
1-442
1-381
1-328
1-281
0-5
7107
0-6
0-7
0-8
0-9
4012
4-791
3-941
12-562
7-929
5-806
4-592
3-807
11-866
7-648
5-656
4-498
3-744
11-244
7-386
5-513
4-409
3-683
3-356
2-930
2-607
2-354
2-151
3-308
2-894
2-579
2-332
2-133
3-261
3-215
2-824
2-525
2-289
2-098
3-171
2-791
2-665
2-400
2-189
3-406
2-968
2-636
2-377
2-170
2016
2001
1-861
1-743
1-642
1-556
1-986
1-848
1-732
1-633
1-548
1-971
1-835
1-721
1-956
1-823
1-572
1-873
1-754
1-652
1-564
1-496
1-429
1-370
1-318
1-272
1-489
1-423
1-365
1-314
1-268
1-482
1-417
1-359
1-309
1-264
1-475
1-410
1-354
1-304
1-260
1-468
1-405
1-349
1-299
1-256
1-461
1-231
1-195
1-228
1-224
1-188
1-220
1-185
1-216
5126
4161
1198
1165
MoKa:
13-345
8-231
5-965
4-689
3-873
6-701
3086
II.
006
1191
1159
14-232
8-558
6133
1-624
1-540
1181
2-859
2-552
2-310
2-116
1-251
1-455
1-393
1-338
1-290
1-247
1-448
1-387
1-333
1-286
1-243
1-213
1-178
1-209
1-175
1-205
1-171
1146
1118
1144
1115
1090
1141
1113
1088
1-067
1-046
1-026
1-008
1-065
1-399
1-344
1-295
1152
1149
1-126
1-105
1-124
1-097
1121
1095
1080
1-078
1069
1056
1036
1023
1021
1-005
1003
1019
1002
1-017
1-000
1050
1030
1012
1-048
1-042
1-058
1-038
1-074
1-052
1-032
1-071
1060
1040
1-076
1-054
1034
1015
0-998
1-927
1-799
1-691
1-598
1-518
1156
1100
1-811
1-701
1-606
1-525
1-711
1-615
1-533
1129
1102
1162
1132
1-942
2-499
2-268
2-081
1-092
1028
1010
1044
0-997
0-995
0-994
0-992
1-024
1-007
0-991
0-980
0-966
0-953
0-941
0-929
0-979
0-964
0-952
0-939
0-928
0-977
0-963
0-950
0-938
0-927
0-976
0-962
0-949
0-937
0-926
0-918
0-908
0-899
0-891
0-883
0-917
0-907
0-898
0-890
0-882
0-916
0-906
0-897
0-889
0-881
1014
0-989
0-974
0-960
0-948
0-936
0-987
0-973
0-959
0-947
0-935
0-986
0-971
0-958
0-945
0-934
0-984
0-970
0-957
0-944
0-933
0-983
0-969
0-955
0-943
0-932
0-981
0-925
0-915
0-905
0-897
0-888
0-924
0-914
0-905
0-896
0-888
0-923
0-913
0-904
0-895
0-887
0-922
0-912
0-903
0-894
0-886
0-921
0-911
0-920
0-910
0-902
0-893
0-885
0-901
0-892
0-884
0-919
0-909
0-900
0-892
0-884
0-881
0-873
45
0-867
0-860
0-854
0-880
0-873
0-866
0-860
0-854
0-879
0-872
0-865
0-859
0-853
0-878
0-871
0-865
0-858
0-852
0-878
0-871
0-864
0-858
0-852
0-877
0-870
0-863
0-857
0-851
0-876
0-869
0-863
0-857
0-851
0-876
0-869
0-862
0-856
0-850
0-875
0-868
0-861
0-855
0-850
0-874
0-867
0-861
0-855
0-849
46
47
48
49
50
0-848
0-843
0-838
0-833
0-829
0-848
0-843
0-838
0-833
0-828
0-847
0-842
0-837
0-832
0-828
0-847
0-842
0-837
0-832
0-828
0-845
0-840
0-835
0-830
0-826
0-844
0-839
0-834
0-830
0-825
0-844
0-839
0-834
0-829
0-825
51
0-825
0-820
0-817
0-813
0-810
0-824
0-820
0-816
0-813
0-809
0-824
0-820
0-816
0-812
0-809
0-821
52
53
54
55
0-821
0-817
0-813
56
57
58
59
60
0-806
0-803
0-800
0-797
0-795
0-806
0-803
0-800
0-797
0-794
61
0-792
0-790
0-787
0-785
0-783
0-781
31
32
33
34
35
36
37
38
39
40
41
42
43
44
62
63
64
65
66
67
68
69
70
0-779
0-777
0-775
0-773
0-967
0-954
0-942
0-930
0-846
0-846
0-841
0-841
0-836
0-831
0-827
0-836
0-831
0-827
0-845
0-840
0-835
0-831
0-826
0-823
0-819
0-816
0-812
0-809
0-823
0-819
0-815
0-812
0-808
0-822
0-819
0-815
0-811
0-808
0-822
0-818
0-814
0-811
0-808
0-822
0-818
0-814
0-807
0-817
0-814
0-810
0-807
0-806
0-803
0-800
0-797
0-794
0-805
0-802
0-799
0-796
0-794
0-805
0-802
0-799
0-796
0-794
0-805
0-802
0-799
0-796
0-793
0-804
0-801
0-798
0-796
0-793
0-804
0-801
0-798
0-795
0-793
0-804
0-801
0-798
0-795
0-793
0-803
0-800
0-798
0-795
0-792
0-792
0-789
0-787
0-785
0-783
0-791
0-791
0-791
0-789
0-787
0-784
0-782
0-789
0-786
0-784
0-782
0-789
0-786
0-784
0-782
0-791
0-788
0-786
0-784
0-782
0-791
0-788
0-786
0-784
0-781
0-790
0-788
0-786
0-783
0-790
0-788
0-785
0-783
0-790
0-787
0-785
0-783
0-781
0-781
0-781
0-780
0-778
0-777
0-775
0-773
0-780
0-778
0-776
0-775
0-773
0-780
0-778
0-776
0-774
0-773
0-780
0-778
0-776
0-774
0-773
0-780
0-778
0-776
0-774
0-772
0-779
0-778
0-776
0-774
0-772
0-779
0-777
0-776
0-774
0-772
0-779
0-777
0-775
0-774
0-772
0-779
0-777
0-775
0-773
0-772
109
0-811
0-810
0-807
TABLE
2.4.3B {continued)
(mm)
vs Identity
Period (A)

Camera radius: 30 00 mm. III. CuKa: 1-5418
00
01
0-2
0-3
46-280
23-178
42-077
22-080
35-613
15-495
11-666
9-378
15 000
38-576
21-081
14-536
11-386
9-200
11120
9-028
10-867
8-862
13-691
10-625
8-703
7-862
6-785
5-984
5-366
4-876
7-738
6-695
5-915
5-312
4-832
7-618
6-607
5-848
5-259
4-790
7-502
6-521
5-782
5-207
4-748
7-390
6-438
5-718
5-157
4-707
6-357
5-656
5-107
4-667
4-479
4-151
3-878
3-646
3-448
4-443
4-122
3-853
3-625
3-429
4-408
4-093
3-828
3-604
3-411
4-374
4-340
4-307
4064
4036
4009
3-804
3-583
3-394
3-780
3-563
3-376
3-757
3-543
3-359
3-276
3-127
2-997
2-882
2-780
3-260
3-113
2-985
2-871
2-770
3-245
3-214
3-073
2-949
2-839
2-742
3-199
2-973
2-860
2-760
3-229
3-086
2-961
2-850
2-751
22
23
24
25
2-689
2-607
2-534
2-468
2-408
2-680
2-600
2-527
2-462
2-403
2-672
2-592
2-520
2-456
2-397
2-663
2-584
2-514
2-450
2-392
26
27
28
29
30
2-354
2-305
2-260
2-218
2-180
2-349
2-300
2-255
2-214
2-177
2-344
2-295
2-251
2-211
2-173
31
2-146
32
2113
33
2-084
2-056
2-142
2-110
2-081
y (mm)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
34
35
2054
0-4
0-5
33-075
19-334
0-6
30-875
18-566
13-305
10-394
8-550
28-950
17-857
7-281
0-7
0-8
0-9
25-743
24-393
16-591
12-269
16024
12-941
27-252
17-200
12-596
10173
9-961
8-402
8-260
9-759
8-123
7-176
6-278
5-595
4-628
7-074
6-202
5-536
5-012
4-590
4-552
6-879
6-055
5-421
4-920
4-515
4-275
3-982
3-734
3-523
3-342
4-243
3-955
3-712
3-504
3-325
4-212
3-929
3-689
3-485
3-309
4-182
3-903
3-667
3-466
3-292
2-937
2-829
2-733
3-185
3-047
2-926
2-819
2-724
3-170
3-034
2-915
2-809
2-715
3-156
3-022
2-904
2-799
2-706
3-009
2-892
2-789
2-697
2-655
2-577
2-507
2-443
2-386
2-647
2-570
2-500
2-437
2-381
2-639
2-562
2-494
2-432
2-375
2-631
2-555
2-487
2-426
2-370
2-623
2-548
2-481
2-420
2-365
2-615
2-541
2-474
2-414
2-359
2-339
2-291
2-247
2-207
2-170
2-334
2-286
2-243
2-203
2166
2-329
2-282
2-239
2-199
2-163
2-324
2-277
2-234
2-195
2-159
2-319
2-273
2-230
2-191
2-156
2-314
2-268
2-226
2-188
2-152
2-309
2-264
2-222
2-184
2-149
2-139
2-107
2-078
2-051
2-026
2-136
2-104
2-075
2-048
2-023
2-132
2129
2-123
2-092
2-072
2-046
2-098
2-070
2-043
2-126
2-095
2-067
2120
2-101
2064
2-089
2-062
2-021
2019
2041
2016
2-038
2-014
2036
2012
2-116
2-087
2-059
2-033
1-998
1-977
1-957
1-938
1-920
1-996
1-974
1-955
1-936
1-919
1-994
1-972
1-953
1-934
1-917
1.991
1-951
1-933
1-915
1-989
1-968
1-949
1-931
1-914
1-987
1-966
1-947
1-929
1-912
1-901
1-899
1-884
1-870
1-857
1-844
1-898
1-883
1-869
1-856
1-843
1-896
1-886
1-872
1-858
1-846
1-831
1-820
1-810
1-800
1-791
1-830
1-819
1-809
1-799
1-790
3100
20169
14-101
060
5059
6-975
6-127
5-478
4-965
11-960
9-565
7-990
3-141
2009
2031
2-028
2-007
2002
2-000
1-985
1-964
1-945
1-927
2-005
1-983
1-962
1-943
1-926
1-981
1-960
1-942
1-924
1-979
1-958
1-940
1-922
1-909
1-893
1-879
1-865
1-852
1-907
1-892
1-877
1-863
1-850
1-906
1-890
1-876
1-862
1-849
1-904
1-889
1-874
44
45
1-910
1-895
1-880
1-866
1-853
1-861
1-848
1-902
1-887
1-873
1-859
1-847
46
47
48
49
50
1-841
1-829
1-818
1-808
1-798
1-840
1-828
1-817
1-807
1-797
1-838
1-827
1-816
1-806
1-796
1-837
1-826
1-815
1-805
1-795
1-836
1-825
1-814
1-804
1-794
1-835
1-824
1-813
1-803
1-793
1-834
1-822
1-812
1-802
1-792
1-833
1-821
1-811
1-801
1-791
51
52
53
54
55
1-789
1-780
1-772
1-764
1-756
1-788
1-779
1-771
1-763
1-756
1-787
1-778
1-770
1-762
1-755
1-786
1-777
1-769
1-784
1-776
1-768
1-760
1-753
1-783
1-775
1-767
1-759
1-752
1-783
1-774
1-766
1-758
1-751
1-782
1-773
1-765
1-758
1-781
1-772
1-765
1-757
1-754
1-785
1-777
1-768
1-761
1-753
1-751
1-750
56
57
58
59
60
1-749
1-742
1-736
1-730
1-724
1-748
1-742
1-735
1-729
1-723
1-748
1-741
1-735
1-728
1-723
1-747
1-740
1-734
1-728
1-722
1-746
1-740
1-733
1-727
1-722
1-746
1-739
1-733
1-727
1-721
1-745
1-738
1-732
1-726
1-720
1-744
1-738
1-744
1-737
1-731
1-726
1-720
1-731
1-725
1-719
1-743
1-736
1-730
1-724
1-719
61
1-718
1-713
1-708
1-703
1-698
1-718
1-712
1-707
1-702
1-698
1-717
1-712
1-707
1-702
1-697
1-717
1-716
1-711
1-711
1-706
1-706
1-701
1-697
1-701
1-715
1-710
1-705
1-700
1-696
1-715
1-710
1-705
1-700
1-695
1-714
1-709
1-704
1-699
1-695
1-714
1-709
1-704
1-699
1-694
1-713
1-708
1-703
1-699
1-694
1-694
1-689
1-685
1-693
1-689
1-685
1-681
1-677
1-693
1-688
1-684
1-680
1-677
1-692
1-688
1-684
1-680
1-676
1-692
1-688
1-684
1-680
1-676
1-691
1-691
1-691
1-687
1-683
1-679
1-676
1-687
1-683
1-679
1-675
1-686
1-682
1-679
1-675
1-690
1-686
1-682
1-678
1-675
1-690
1-686
1-682
1-678
1-674
36
37
38
39
40
41
42
43
62
63
64
65
66
67
68
69
70
1-681
1-677
1-761
1-696
110
1-970
1-881
1-867
1-854
1-842
TABLE
2.4.3B (continued)
(mm)

Camera radius: 3000 mm. IV. NiKa: 1-6591 A
00
01
0-2
0-3
0-4
0-5
45-279
23-759
49-801
24-942
16-674
12-553
38-323
21-704
15-174
11-693
9-537
35-591
20-805
14-733
11-433
9-365
33-223
19-978
14-317
11-184
9-200
7-952
6-928
y (mm)
0-7
0-8
0-9
31-152
19-215
13-925
10-947
9-042
29-325
18-509
13-554
10-719
8-888
27-701
17-853
13-203
10-501
8-740
26-249
17-243
12-870
10-292
8-598
7-835
6-841
7-722
6-756
6153
6086
6021
5-549
5-444
4-980
7-612
6-674
5-957
5-393
4-939
7-505
6-593
5-894
5-343
4-898
7-402
6-515
5-833
5-294
4-858
4-566
4-256
3-994
4-533
4-228
3-970
3-750
3-560
4-500
4-200
3-946
3-730
3-543
3-380
3-238
3-136
3-396
3-251
3-124
023
3012
3113
3001
0-6
10092
9-899
41-511
22-685
15-642
11-966
9-714
6
7
8
9
10
8-460
8-326
7-204
6-365
5-716
5-200
8198
8073
7-109
6-293
5-659
5-154
7-017
6-222
5-603
5109
5065
5-496
5-022
11
4-819
4-467
4-173
3-923
3-710
4-781
4-435
4-744
4-404
4-707
4-373
4-671
4-343
4-635
4-314
4-600
4-285
4-146
3-900
3-690
4120
4094
4068
4043
4018
3-878
3-671
3-856
3-652
3-834
3-633
3-813
3-614
3-791
16
17
18
19
3-526
3-365
3-225
3-509
3-350
3-212
3-492
3-336
3-475
3-321
3-443
3-293
3101
3089
3055
2-991
2-981
2-960
2-951
3-044
2-941
3033
20
3-078
2-971
3186
3066
3-427
3-279
3-149
3-411
3-265
3199
3-459
3-307
3-173
2-931
2-921
2-912
2-902
21
2-884
2-797
2-719
2-649
2-586
2-875
2-789
2-712
2-642
2-579
2-866
2-781
2-705
2-636
2-574
2-857
2-773
2-698
2-629
2-568
2-848
2-765
2-690
2-623
2-562
2-839
2-757
2-683
2-617
2-556
2-831
22
23
24
25
2-893
2-806
2-727
2-656
2-592
2-750
2-676
2-610
2-550
2-822
2-742
2-669
2-604
2-544
2-814
2-734
2-663
2-598
2-539
26
27
28
29
30
2-533
2-480
2-432
2-387
2-346
2-528
2-475
2-427
2-383
2-342
2-522
2-470
2-422
2-379
2-339
2-517
2-465
2-418
2-375
2-335
2-511
2-506
2-455
2-409
2-366
2-327
2-501
2-496
2-446
2-400
2-358
2-320
2-490
2-441
2-396
2-354
2-316
2-485
2-436
2-391
2-350
2-312
31
2-309
2-274
2-242
2-213
2-185
2-305
2-271
2-239
2-210
2-183
2-302
2-268
2-236
2-207
2-298
2-264
2-233
2-204
2-177
2-295
2-261
2-230
2-201
2-175
2-291
2-258
2-227
2-288
2-255
2-224
2-284
2-252
2-221
2-281
2-248
2-218
2199
2196
2-172
2-170
2193
2167
2190
2165
2-278
2-245
2-215
2-188
2-162
36
37
38
39
2160
2136
2-157
2-134
2-155
2150
2-148
2-125
2-145
2-122
2-143
2-127
2-141
2-118
2-114
2110
2-089
40
2-074
2112
2091
2072
2-152
2-129
2-107
2-087
2070
2068
2105
2085
2067
2103
2083
2065
2101
2081
2063
41
2056
2039
2-054
2-037
2-052
2051
2036
2-023
2-021
2008
2-007
2-020
2-005
2034
2018
2004
2049
2032
2-047
2002
2031
2015
2001
2046
2029
2014
2000
1-994
1-993
1-991
1-990
1-989
1-987
46
47
48
49
50
1-981
1-968
1-956
1-945
1-935
1-979
1-967
1-955
1-944
1-934
1-978
1-966
1-954
1-943
1-933
1-977
1-965
1-953
1-942
1-932
1-976
1-963
1-952
1-974
1-962
1-941
1-931
1-940
1-930
51
1-925
1-915
1-906
1-898
1-890
1-924
1-914
1-906
1-897
1-889
1-923
1-914
1-905
1-896
1-888
1-922
1-913
1-904
1-895
1-888
1-921
1-912
1-903
1-895
1-887
1-920
1-911
1-902
1-894
1-886
56
57
58
59
60
1-882
1-875
1-868
1-881
1-861
1-855
1-874
1-867
1-861
1-854
1-881
1-873
1-867
1-860
1-854
1-880
1-873
1-866
1-859
1-853
1-879
1-872
1-865
1-859
1-852
61
1-848
1-843
1-837
1-832
1-827
1-848
1-842
1-837
1-831
1-826
1-847
62
63
64
65
1-849
1-843
1-838
1-832
1-827
1-847
1-841
1-835
1-830
1-825
66
67
68
69
70
1-822
1-818
1-813
1-809
1-805
1-822
1-817
1-813
1-809
1-805
1-822
1-817
1-813
1-808
1-804
1-821
1-816
1-821
2
3
12
13
14
15
32
33
34
35
42
43
44
45
52
53
54
55
7-301
6-439
5-774
5-247
2093
16-141
12-253
2180
2131
1-841
1-836
1-831
1-826
1-812
1-808
1-804
2-460
2-413
2-370
2-331
2-017
1-816
1-812
1-807
1-803
111
3161
1-951
3-596
2-450
2-404
2-362
2-323
3-771
3-578
2120
2099
2080
2-138
2097
2116
2095
2-078
2-076
2061
2059
2058
2044
2028
2012
2042
2026
2041
2025
2011
2009
1-986
1-998
1-985
1-997
1-983
1-995
1-982
1-973
1-961
1-950
1-939
1-929
1-972
1-960
1-949
1-938
1-928
1-971
1-959
1-948
1-937
1-927
1-969
1-958
1-946
1-936
1-926
1-919
1-910
1-918
1-909
1-900
1-892
1-884
1-917
1-908
1-900
1-916
1-907
1-899
1-891
1-884
1-891
1-883
1-876
1-869
1-862
1-856
1-849
1-901
1-893
1-885
1-877
1-870
1-863
1-857
1-852
1-878
1-871
1-864
1-857
1-851
1-851
1-876
1-869
1-863
1-856
1-850
1-846
1-840
1-835
1-830
1-825
1-845
1-840
1-834
1-829
1-824
1-845
1-839
1-834
1-829
1-824
1-844
1-839
1-833
1-828
1-823
1-844
1-838
1-833
1-828
1-823
1-820
1-816
1-811
1-807
1-803
1-820
1-815
1-819
1-815
1-810
1-806
1-802
1-819
1-814
1-810
1-806
1.802
1-818
1-814
1-810
1-805
1-802
1-878
1-871
1-865
1-858
1-811
1-807
1-803
TABLE
2.4.3B (continued)
(mm)
Camera
y (mm)
1
0-4
0-5
0-6
0-7
0-8
0-9
53-736
26-913
48-856
25-637
17-417
41-351
23-419
16-373
12-617
10-290
38-403
22-449
15-897
12-336
35-849
21-557
15-449
33-614
20-734
28-323
18-606
13-887
12068
11-331
9-431
11106
10105
9-927
11-812
9-756
31-642
19-972
14-625
11-566
29-890
19-264
14-246
13-221
10-682
44-791
24-477
16-878
12-912
10-482
8-984
7-773
6-868
8-845
7-671
6-790
8-711
6167
6106
8-454
7-381
6-567
5-930
5-419
8-332
7-290
6-496
5-874
5-374
8-213
7-201
6-427
5-819
5-329
8098
7-572
6-714
6-046
5-513
8-580
7-475
6-639
5-987
5-466
7-987
7-030
6-294
5-713
5-242
5-079
4-719
4-417
4-161
3-940
040
5-001
4-655
4-362
4-114
3-900
4-964
4-623
4-336
4091
4-927
4-592
4-310
4-068
4-891
4-687
4-390
4-137
3-920
3-880
3-861
3-842
3-715
3-553
3-698
3-538
3-397
3-273
3-681
3-523
3-664
3-508
3194
3-732
3-568
3-424
3-297
3-184
3163
3152
9128
7-878
6-948
6-230
5-661
11
12
13
14
15
16
17
18
19
20
0-3
0-2
10
y,
V. CoJTa: 1-7902
01
3000 mm.
00
17-991
13-545
10-889
radius:
15025
9-591
7-114
6-360
5-765
5-285
9-277
5-611
5-561
5-200
4-820
4-502
4-233
4-003
5-159
4-786
4-474
4-209
3-982
5-118
4-752
4-445
4-184
3-804
3-786
3-615
3-465
3-333
3-216
3-768
3-599
3-451
3-321
3-205
3-750
3-584
3-438
3-309
3-112
3-102
092
3083
3073
064
3055
045
3036
2-975
2-895
2-823
2-758
2-967
2-888
2-816
2-752
2-959
2-880
2-810
2-746
2-950
2-873
2-803
2-739
3-631
3-480
3-346
3-227
3-961
3-411
3-285
3-173
4-562
4-284
4046
3-384
3-371
3-261
3-250
3-142
4-855
4-532
4-258
4-025
3-823
3-647
3-494
3-358
3-239
3-132
22
23
24
25
3-122
3-027
2-942
2-866
2-796
3018
3010
3 001
2-992
2-934
2-858
2-790
2-926
2-919
2-844
2-777
2-911
2-851
2-783
2-837
2-770
2-984
2-903
2-830
2-764
26
27
28
29
30
2-733
2-676
2-624
2-576
2-532
2-727
2-671
2-619
2-571
2-528
2-722
2-665
2-614
2-567
2-523
2-716
2-660
2-609
2-562
2-519
2-710
2-655
2-604
2-558
2-515
2-704
2-649
2-599
2-553
2-511
2-698
2-644
2-594
2-549
2-507
2-693
2-639
2-590
2-545
2-503
2-687
2-634
2-585
2-540
2-499
2-682
2-629
2-580
2-536
2-495
31
2-491
2-454
2-419
2-387
2-358
2-487
2-450
2-416
2-384
2-355
2-484
2-447
2-413
2-381
2-352
2-480
2-443
2-410
2-378
2-349
2-476
2-440
2-406
2-375
2-347
2-472
2-436
2-403
2-372
2-344
2-468
2-433
2-400
2-369
2-341
2-465
2-429
2-397
2-366
2-338
2-461
32
33
34
2-426
2-394
2-364
2-336
2-457
2-423
2-391
2-361
2-333
2-328
2-302
2-279
2-256
2-236
2-325
2-300
2-276
2-254
2-234
2-322
2-297
2-274
2-252
2-232
2-320
2-295
2-272
2-250
2-230
2-317
2-293
2-270
2-248
2-228
2-315
2-290
2-267
2-246
2-226
2-312
2-288
2-265
2-244
2-224
2-310
2-285
2-263
2-242
2-222
2-307
2-283
2-261
2-240
2-220
2-216
2-198
2-181
2-215
2-213
2-195
2-178
2-211
2-193
2-209
2-207
2190
2162
2-161
2-155
2-202
2-184
2-168
2-153
2-147
2-146
2-144
2-205
2-188
2-171
2-156
2-141
2-204
2-191
2-175
2-159
2-133
2-120
2-107
2-132
2096
2119
2106
2094
2-130
2-117
2-105
2-093
2-084
2-083
2082
2074
2064
2-073
2-072
2-062
2-052
2-043
2-035
2-071
2-027
21
35
36
37
38
39
40
2-330
2-305
2-281
2-259
2-238
2-218
2-200
2-183
2-167
2-152
2165
2150
2-137
2-124
2-111
2-136
2-122
2-110
2099
2098
2-088
2-087
2109
2097
2086
51
2-077
2-076
2-075
52
53
54
55
2067
2066
2065
41
42
43
44
45
46
47
48
49
50
2-057
2-048
2039
2196
2-180
2-164
2-149
2-135
2121
2-053
2-044
2-029
2-021
2028
2014
2007
2000
2013
2006
2028
2020
2013
1-992
1-986
2-055
2-046
2030
2038
56
57
58
59
60
2-031
2-023
2-015
2-008
61
1-995
1-989
1-983
1-977
1-972
1-994
1-988
1-982
1-977
1-994
1-988
1-982
1-976
1-971
1-971
1-993
1-987
1-981
1-975
1-970
1-966
1-966
1-961
1-957
1-961
1-965
1-960
1-956
1-951
1-947
1-965
1-960
1-955
1-951
1-946
62
63
64
65
66
67
68
69
70
2-002
1-952
1-948
1-956
1-952
1-947
2063
2-054
2-045
2-037
2-056
2-047
2-038
2-022
2-015
2-008
2-001
2-176
2-021
2-000
2036
2-006
1-999
2019
2012
2005
2-173
2-158
2-143
2140
2139
2-128
2-115
2-126
2-114
2-125
2-112
2103
2091
2080
2101
2100
2090
2079
2-089
2-078
2-052
2-043
2-034
2069
2059
2050
2068
2-051
2-042
2-033
2-041
2-033
2040
2-026
2-018
2-025
2-018
2-025
2-017
2024
2016
2011
2010
2010
2-009
2004
2-004
1-997
2-003
1-996
2002
1-990
1-984
1-978
1-973
1-967
1-989
1-983
1-978
1-972
1-967
1-962
1-958
1-953
1-949
1-944
1-962
1-957
1-953
1-948
1-944
2-129
2-116
2-104
2092
2081
2061
2070
2060
1-998
1-998
1-991
1-985
1-979
1-970
1-992
1-986
1-980
1-974
1-969
1-974
1-969
1-991
1-985
1-979
1-973
1-968
1-964
1-960
1-955
1-950
1-946
1-964
1-959
1-954
1-950
1-946
1-963
1-959
1-954
1-949
1-945
1-963
1-958
1-953
1-949
1-945
1-981
1-975
112
2186
2170
2-058
2-049
2-032
1-996
TABLE
2.4.3B {continued)
(mm)
Camera
y
00
radius:
3000 mm.
VI.
y,
FeKa: 1-9373
01
0-2
0-3
0-4
0-5
0-6
0-7
0-8
0-9
52-871
27-743
18-848
14-307
11-559
48-471
26-489
18-265
13-973
11-343
44-749
25-343
17-718
13-654
38-794
23-328
16-718
36-376
22-437
16-260
12-782
10-558
34-242
21-613
15-827
12-517
10-379
32-346
20-847
15-417
12-262
10-206
30-650
20-134
15-028
11136
41-559
24-294
17-203
13-350
10-936
9-723
8-412
7-432
6-674
6-072
9-572
9-426
9-285
8194
8089
6018
7-265
6-543
5-966
7-185
6-479
5-915
9-149
7-988
7-107
6-417
5-864
9016
8-301
7-348
7-889
7-030
6-356
5-815
8-888
7-793
6-956
6-297
5-767
8-764
7-699
6-883
6-239
5-719
8-643
7-608
6-812
6-182
5-673
5-583
5-179
4-841
4-554
4-309
5-539
5-143
4-810
4-528
4-286
5-496
5-107
4-780
4-502
4-264
5-454
5-072
4-750
4-477
4-242
5-412
5-037
4-721
4-452
4-221
5-372
5-003
4-692
4-427
4-199
5-332
4-969
4-664
4-403
4-178
5-293
4-937
4-636
4-379
4-157
5-254
4-904
4-608
4-355
4-137
4-077
3-895
3-735
3-594
3-469
4-058
3-878
3-720
4039
4020
4001
3-621
3-493
4-097
3-912
3-750
3-607
3-480
3-861
3-705
3-568
3-445
3-845
3-691
3-555
3-434
3-829
3-677
3-542
3-422
3-983
3-812
3-662
3-529
3-411
3-965
3-797
3-648
3-517
3-400
3-947
3-781
3-634
3-505
3-389
3-378
3-276
3-184
3-368
3-266
3-175
3-357
3-257
3-336
3-238
3-326
3-229
3-142
3-316
3-220
3-133
3-286
3101
3055
3-012
3005
3-070
2-998
3063
3026
3093
3019
2-991
2-985
3-306
3-211
3-125
3-048
2-978
3-296
3-202
3-117
24
25
3-346
3-247
3-158
3-078
2-971
109
3-033
2-965
26
27
28
29
30
2-958
2-896
2-839
2-787
2-740
2-952
2-890
2-834
2-782
2-735
2-945
2-884
2-829
2-778
2-731
2-939
2-878
2.823
2-773
2-726
2-933
2-873
2-818
2-768
2-722
2-926
2-867
2-813
2-763
2-717
2-920
2-861
2-808
2-758
2-713
2-914
2-856
2-802
2-754
2-709
2-908
2-850
2-797
2-749
2-704
2-902
2-845
2-792
2-744
2-700
31
32
33
34
35
2-696
2-656
2-618
2-584
2-552
2-692
2-652
2-615
2-580
2-548
2-688
2-648
2-611
2-577
2-545
2-683
2-644
2-608
2-574
2-542
2-679
2-640
2-604
2-571
2-539
2-675
2-636
2-601
2-567
2-536
2-671
2-633
2-597
2-667
2-629
2-594
2-561
2-531
2-663
2-625
2-590
2-558
2-528
2-659
2-622
2-587
2-555
2-525
36
37
38
39
40
2-522
2-494
2-468
2.444
2-422
2-519
2-491
2-466
2-442
2-419
2-516
2-489
2-463
2-440
2-417
2-513
2-486
2-461
2.437
2-415
2-510
2-484
2-458
2-435
2-413
2-508
2-481
2-456
2-433
2-411
2-505
2-478
2-454
2-430
2-409
2-502
2-476
2-407
2-499
2-473
2-449
2-426
2-405
2-497
2-471
2-446
2-424
2-403
41
2-401
2-381
2-398
2-379
2-360
2-343
2-327
2-396
2-377
2-359
2-392
2-373
2-355
2-338
2-322
2-390
2-341
2-325
2-394
2-375
2-357
2-340
2-324
2-371
2-353
2-336
2-321
2-389
2-369
2-352
2-335
2-319
2-387
2-368
2-350
2-333
2-317
2-385
2-366
2-348
2-332
2-316
2-383
2-364
2-346
2-330
2-314
(mm)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
42
43
44
58-151
29-124
19-470
14-658
11-784
9-878
8-526
7-519
6-742
6126
5-628
5-216
4-872
4-581
4-332
4117
3-930
3-765
6-608
3167
3086
3-581
3-457
3150
13
060
10-743
2-564
2-533
2-451
2.428
3041
12018
10039
3193
3-
45
2-362
2-345
2-328
46
47
48
49
50
2-313
2-298
2-285
2-272
2-259
2-311
2-297
2-283
2-270
2-258
2-310
2-295
2-282
2-269
2-257
2-308
2-294
2-281
2-268
2-256
2-307
2-293
2-279
2-267
2-255
2-305
2-291
2-278
2-265
2-253
2-304
2-290
2-277
2-264
2-252
2-303
2-289
2-275
2-263
2-251
2-301
2-287
2-274
2-262
2-250
2-300
2-286
2-273
2-260
2-249
51
2-246
2-236
2-225
2-215
2-206
2-245
2-234
2-224
2-214
2-205
2-244
2-233
2-223
2-213
2-204
2-243
2-232
2-222
2-212
2-203
2-242
2-241
2-231
2-221
2-211
55
2-248
2-237
2-226
2-216
2-207
2-230
2-220
2-210
2-201
2-240
2-229
2-219
2-210
2-200
2-239
2-228
2-218
2-209
2-200
2-238
2-227
2-217
2-208
2-199
56
57
58
59
60
2-198
2-189
2-181
2-173
2-166
2-197
2-188
2-180
2-173
2-165
2196
2-194
2-193
2-185
2-177
2-170
2-192
2-184
2-176
2-168
2-175
2-167
2-190
2-182
2-174
2-167
2163
2162
2-193
2-184
2-176
2- 169
2-162
2-191
2-188
2-180
2-172
2-165
2-195
2-187
2-179
2-171
2-164
2161
2160
2160
61
2159
2-152
2-146
2-158
2-151
2-144
2-138
2-133
2-157
2- 150
2-144
2-138
2.132
2-156
62
2-158
2-152
2-145
2-139
2-133
2-156
2-149
2-143
2-137
2-154
2-148
2-141
2-135
2131
2-131
2-155
2-148
2-142
2-136
2-130
2-153
2-147
2-141
2-135
2-129
2-153
2-146
2-140
2-134
2-129
2-127
2-122
2-117
2-112
2-127
2-122
2-116
2-112
2-107
2-126
2-126
2-114
2-111
2-121
2-115
2-111
2-125
2-120
2-114
2-124
2-121
2-125
2-120
2-115
2110
2110
2109
2-106
2-
2-105
2-105
2-104
2-124
2-118
2-113
2-109
2-104
2-123
2-118
2-113
2-108
2-104
52
53
54
63
64
65
2140
66
67
68
69
70
2-128
2-123
2-117
2-112
2-108
2-134
2107
2116
2186
2-178
2-170
2150
2-143
2-137
106
113
2-202
2130
2119
2183
TABLE
2.4.3B (continued)
(mm)

Camera radius: 3000 mm. VII: CrKa: 2-2909
00
01
0-2
0-3
0-4
0-5
0-6
0-7
0-8
0-9
68-765
34-440
45-875
27-586
19-769
15-444
12-704
43-015
26-533
19-228
40-493
25-557
18-716
36-245
23-809
23023
49-144
28-728
20-343
15-787
12-932
38-250
24-652
57-318
31-323
21-599
16-523
13-414
52-917
29-969
20-952
18-231
62-521
32-807
22-288
16-919
13-669
15115
14-500
12-485
14-801
12-273
17-771
14-212
11-872
11-147
9-689
8-591
7-737
10-980
9-566
8-496
7-662
6-994
10-819
9-446
8-404
7-588
6-935
10-662
9-329
8-313
7-517
6-877
10-510
9-215
8-225
7-446
6-819
10-363
7-378
6-763
7-310
6-709
6-400
5-956
5-583
5-264
4-991
6-352
5-916
5-548
5-235
4-966
6-305
5-877
5-515
5-206
4-941
6-259
5-838
5-482
5-178
4-916
6-213
5-799
5-449
5- 150
4-892
4-732
4-527
4-348
4-710
4-508
4-689
4-490
4-314
4-668
4-471
4-298
4159
4021
4144
3-921
3-897
3-786
3-686
3-596
3-513
3-885
3-776
3-677
3-587
3-506
3-432
3-364
3-302
3-245
y (mm)
1
17-334
13-935
11-681
10082
8-891
7-973
11-497
9-947
8-789
7-892
10
7-244
7180
11-319
9-816
8-689
7-814
7-117
11
6-655
6-168
5-762
5-417
6-602
6-550
6-499
6125
6081
6039
5-725
5-386
5-688
5-355
5-652
5-324
6-449
5-997
5-617
5-294
5123
5095
5069
5042
5016
16
17
18
19
4-868
4-647
4-453
4-282
4-845
4-626
4-435
4-266
4-821
4-606
4-417
4-250
4-799
4-586
4-399
4-234
4-776
4-566
4-382
4-219
20
4130
4116
4102
4088
4074
4-754
4-547
4-365
4-204
4-061
21
22
23
24
25
3-995
3-874
3-765
3-667
3-579
3-982
3-863
3-755
3-658
3-570
3-970
3-851
3-745
3-649
3-562
3-957
3-840
3-735
3-640
3-554
3-945
3-829
3-725
3-631
3-545
3-933
3-818
3-715
3-622
3-537
3-807
3-705
3-613
3-529
26
27
28
29
30
3-498
3-425
3-358
3-296
3-240
3-490
3-418
3-483
3-411
3-345
3-285
3-229
3-475
3-404
3-339
3-279
3-224
3-468
3-397
3-332
3-273
3-219
3-460
3-390
3-326
3-267
3-213
3-453
3-384
3-320
3-262
3-208
3-446
3-377
3-314
3-256
3-203
3-439
3-370
3-308
3198
3193
31
3183
3-173
3-127
3164
3159
3-154
3149
3*136
3-178
3-131
3168
32
33
34
35
3188
3140
3096
3055
3017
3-122
3-118
3-113
3088
3047
3010
3083
3044
3006
3079
3040
3003
3075
3036
3071
3109
3067
3028
3-105
3092
3051
3014
3145
3100
3059
3021
2-999
2-996
2-992
2-989
2-985
36
37
38
39
40
2-982
2-949
2-919
2-890
2-864
2-979
2-946
2-916
2-888
2-861
2-975
2-943
2-913
2-885
2-859
2-972
2-940
2-910
2-882
2-856
2-969
2-937
2-907
2-879
2-853
2-965
2-934
2-904
2-877
2-851
2-962
2-959
2-928
2-899
2-871
2-846
2-956
2-925
2-896
2-869
2-844
2-952
2-922
2-893
2-866
41
42
43
44
45
2-839
2-815
2-793
2-773
2-753
2-836
2-813
2-832
2-809
2-787
2-767
2-748
2-829
2-806
2-785
2-765
2-746
2-827
2-804
2-783
2-763
2-744
2-824
2-802
2-791
2-771
2-751
2-834
2-811
2-789
2-769
2-750
2-742
2-822
2-800
2-779
2-759
2-740
2-820
2-798
2-777
2-757
2-739
2-818
2-795
2-775
2-755
2-737
46
47
48
49
50
2-735
2-718
2-702
2-686
2-672
2-733
2-716
2-700
2-685
2-670
2-732
2-714
2-698
2-683
2-669
2-730
2-713
2-697
2-682
2-667
2-728
2-711
2-695
2-680
2-666
2-726
2-710
2-694
2-679
2-665
2-725
2-708
2-692
2-677
2-663
2-723
2-706
2-691
2-676
2-662
2-721
2-705
2-689
2-674
2-661
2-719
2-703
2-688
2-673
2-659
51
2-658
2-645
2-632
2-621
2-610
2-657
2-644
2-631
2-620
2-608
2-655
2-642
2-630
2-618
2-607
2-654
2-629
2-617
2-606
2-653
2-640
2-628
2-616
2-605
2-651
52
53
54
55
2-639
2-626
2-615
2-604
2-650
2-637
2-625
2-614
2-603
2-649
2-636
2-624
2-613
2-602
2-647
2-635
2-623
2-612
2-601
2-646
2-634
2-622
56
57
58
59
60
2-599
2-589
2-579
2-570
2-561
2-598
2-588
2-578
2-569
2-560
2-597
2-587
2-577
2-568
2-560
2-596
2-586
2-576
2-567
2-559
2-595
2-585
2-575
2-566
2-558
2-594
2-584
2-575
2-566
2-557
2-593
2-583
2-574
2-565
2-556
2-592
2-582
2-573
2-564
2-555
2-591
2-581
2-590
2-580
2-572
2-563
2-555
2-571
61
62
63
64
65
2-553
2-545
2-537
2-530
2-523
2-552
2-544
2-537
2-529
2-522
2-551
2-543
2-551
2-543
2-535
2-549
2-541
2-534
2-527
2-520
2-548
2-540
2-533
2-526
2-519
2-547
2-540
2-532
2-525
2-518
2-547
2-539
2-532
2-524
2-518
2-546
2-538
2-528
2-521
2-550
2-542
2-534
2-527
2-520
66
67
68
69
70
2-516
2-510
2-504
2-498
2-492
2-516
2-509
2-503
2-497
2-492
2-515
2-509
2-503
2-497
2-491
2-515
2-508
2-502
2-496
2-491
2-514
2-508
2-502
2-496
2-490
2-513
2-507
2-501
2-495
2-490
2-513
2-506
2-500
2-495
2-489
2-512
2-506
2-500
2-494
2-489
2-511
2-505
2-499
2-511
2-505
2-499
2-493
2-488
12
13
14
15
3-351
3-290
3-234
2-536
2-529
2-522
16146
13168
7055
2-641
114
4189
4047
3032
2-931
2-901
2-874
2-848
2-781
2-761
4-331
4-174
4034
3-909
3-797
3-696
3-604
3-521
12069
9104
8139
3-251
3063
3025
2-494
2-488
10-220
8-996
8055
4-008
2-841
2-611
2-600
2-562
2-554
2-531
2-524
2-517
TABLE
2.4.3C
Layer-line Separation (nun) vs Identity Period (A)

Camera radius: 57-30 mm. I. AgKa: 0-5609
00
01
0-2
0-3
0-4
0-5
32142
16078
26-787
14-619
10-727
8054
6089
22-962
13-402
9-469
7-325
5-978
21-432
12-867
24-727
13-984
9-755
7-495
5-870
5-766
5132
5053
4-901
4-438
3-912
3-501
4-379
3-867
3-465
4-976
4-322
3-822
3-429
170
3141
3112
3083
3055
3028
3001
2-899
2-672
2-481
2-316
2-174
2-874
2-652
2-463
2-850
2-803
2-592
2-412
2-257
2-122
2-781
2-573
2-395
2-243
2-758
2-554
2-379
2-229
2110
2098
1-993
1-891
1-799
1-717
1-644
1-983
1-881
y (mm)
6-452
29-221
15-314
10-382
7-858
6-326
6
7
8
5-385
4-625
5-298
4-561
4056
4007
9
10
3-615
3-262
3-576
3-231
5-214
4-499
3-959
3-538
3-200
11
2-975
2-736
2-535
2-363
2-215
2-949
2-715
2-517
2-347
2-201
2-924
2-693
2-498
2-332
2-187
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
10058
7-672
6-206
3-
9199
7164
0-6
20094
12-373
8-945
7009
4-266
3-779
3-394
0-7
18-912
11-916
8-704
6-861
5-666
17-863
11-491
8-476
6-719
5-569
4-829
4-211
3-736
3-360
4-759
4-158
3-695
3-327
2-301
2-446
2-286
2161
2148
2-827
2-612
2-429
2-272
2-135
2004
2-631
0-8
2085
2073
2062
2050
2038
2027
2016
1-972
1-961
1-862
1-774
1-951
1-853
1-765
1-930
1-834
1-749
1-672
1-920
1-825
1-741
1-665
1-910
1-817
1-733
1-658
1-900
1-808
1-725
1-651
1-694
1-687
1-940
1-844
1-757
1-680
1-630
1-565
1-506
1-452
1-403
1-623
1-559
1-500
1-447
1-398
1-616
1-552
1-494
1-442
1-393
1-610
1-546
1-489
1-437
1-389
1-603
1-540
1-484
1-432
1-384
1-597
1-535
1-478
1-427
1-379
1-590
1-529
1-473
1-422
1-375
1-584
1-523
1-467
1-417
1-357
1-316
1-277
1-242
1-209
1-353
1-312
1-274
1-239
1-206
1-349
1-308
1-270
1-235
1-203
1-345
1-304
1-267
1-232
1-200
1-340
1-300
1-263
1-229
1-336
1-296
1-259
1-225
1-332
1-292
1-256
1-222
1-324
1-285
1-249
1-216
1197
1194
1191
1-328
1-289
1-252
1-219
1-188
1179
1150
1124
1099
1176
1148
1164
1137
1159
1132
1106
1083
1156
1129
1-074
1170
1142
1116
1092
1069
1167
1139
1-076
1173
1145
1119
1094
1072
1054
1034
1015
1052
1032
1013
1050
1030
0-997
0-980
0-964
0-949
0-934
1-871
1-782
1-702
1161
1134
1109
1085
1063
1-371
0-9
16-924
11096
8-259
6-583
5-476
4-691
4106
3-654
3-294
1-790
1-710
1-637
1-577
1-517
1-462
1-412
1-366
1-571
1-511
1-457
1-407
1-362
1-320
1-281
1-245
1-212
1-182
1185
1153
1126
1102
1-114
1111
1090
1067
1-087
1046
1026
1007
1-044
1011
1048
1028
1009
1024
1006
1042
1022
1004
0-995
0-978
0-993
0-977
0-992
0-975
0-990
0-973
0-988
0-972
0-987
0-970
0-961
0-959
0-944
0-930
0-917
0-904
0-958
0-943
0-929
0-916
0-903
0-956
0-941
0-928
0-914
0-902
0-955
0-940
0-926
0-913
0-901
0-953
0-939
0-925
0-912
0-900
0-952
0-937
0-924
0-921
0-908
0-962
0-947
0-933
0-920
0-907
0-911
0-898
0-950
0-936
0-922
0-909
0-897
0-896
0-884
0-873
0-863
0-853
0-895
0-883
0-872
0-862
0-852
0-894
0-882
0-892
0-891
0-881
0-871
0-861
0-851
0-870
0-860
0-850
0-880
0-869
0-859
0-849
0-890
0-879
0-868
0-858
0-848
0-889
0-878
0-867
0-857
0-847
0-888
0-877
0-866
0-856
0-846
0-887
0-876
0-865
0-855
0-845
0-886
0-874
0-864
0-854
0-845
0-843
0-834
0-825
0-817
0-809
0-842
0-833
0-824
0-816
0-808
0-841
0-840
0-832
0-824
0-815
0-808
0-831
55
0-844
0-835
0-826
0-818
0-810
0-823
0-815
0-807
0-839
0-830
0-822
0-814
0-806
0-838
0-829
0-821
0-813
0-805
0-837
0-829
0-820
0-812
0-805
0-836
0-828
0-819
0-811
0-804
0-835
0-827
0-819
0-811
0-803
56
57
58
59
60
0-802
0-795
0-788
0-782
0-776
0-802
0-795
0-788
0-801
0-781
0-799
0-792
0-785
0-779
0-773
0-797
0-790
0-784
0-777
0-797
0-790
0-783
0-777
0-774
0-800
0-793
0-786
0-779
0-773
0-798
0-791
0-781
0-775
0-800
0-793
0-786
0-780
0-774
0-771
0-771
0-796
0-789
0-783
0-776
0-770
61
62
63
64
65
0-770
0-764
0-758
0-753
0-748
0-769
0-763
0-758
0-752
0-747
0-768
0-763
0-757
0-752
0-747
0-768
0-762
0-757
0-751
0-746
0-767
0-761
0-756
0-751
0-746
0-767
0-761
0-755
0-750
0-745
0-766
0-760
0-755
0-750
0-745
0-765
0-760
0-754
0-749
0-744
0-765
0-759
0-754
0-749
0-744
0-764
0-759
0-753
0-748
0-743
66
67
68
69
70
0-743
0-738
0-733
0-729
0-725
0-742
0-738
0-733
0-729
0-724
0-742
0-737
0-733
0-728
0-724
0-741
0-737
0-732
0-728
0-741
0-736
0-732
0-727
0-723
0-740
0-736
0-731
0-727
0-723
0-740
0-735
0-739
0-735
0-730
0-726
0-722
0-739
0-734
0-730
0-726
0-722
0-738
0-734
0-729
0-725
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
1-121
1097
0-946
0-932
0-918
0-906
0-794
0-787
0-724
115
1065
0-784
0-778
0-772
0-731
0-727
0-722
1061
1040
1020
1-002
0-985
0-969
1-104
100
1059
1038
1019
1000
0-983
0-967
1-078
,
1056
1-036
1017
0-999
0-982
0-965
0-721
TABLE
2.4.3C {continued)
(mm)

Camera radius: 57-30 mm. II. MoKa: 0-7107 A
00
01
0-2
0-3
0-4
0-5
40-726
20-372
13-592
33-941
18-523
12-745
9-721
7-863
31-331
17-719
12-360
9-496
7-716
29094
16-982
11-998
9-282
7-574
27-156
16-303
11-656
9-077
7-438
25-460
15-678
10-205
8-175
37-025
19-403
13-155
9-957
8-016
6-824
5-860
5-139
4-580
4-134
6-713
5-779
5-077
4-531
4-094
6-606
5-700
5-016
4-483
6-502
5-623
4-957
4-436
4055
4017
6-402
5-548
4-899
4-390
3-979
6-305
5-476
4-843
4-345
3-943
6-210
5-405
4-788
4-301
3-907
3-769
3-467
3-212
2-994
2-806
3-737
3-440
3-189
2-974
2-789
3-705
3-413
3-166
2-954
2-772
3-673
3-386
3-611
3-552
3-284
3-056
2-860
2-689
3-495
3-236
2-897
2-722
3-582
3-309
3-077
2-878
2-705
3-523
3-260
3-035
2-935
2-755
3-642
3-360
3-121
2-916
2-738
2-842
2-673
2-824
2-658
16
17
18
19
2-642
2-499
2-597
2-459
2-336
2-226
2-128
2-583
2-446
2-324
2-216
2-119
2-554
2-420
2-302
2-196
2110
2-101
2-540
2-408
2-291
2-186
2-092
2-526
2-395
2-280
2-176
2-083
2-512
2-383
2-269
2-156
2-612
2-472
2-348
2-237
2-137
2-568
2-433
2-313
2-206
20
2-627
2-485
2-359
2-247
2-147
21
2-057
2-031
1-952
1-880
1-814
1-754
2-023
1-944
2-015
1-937
1-866
2007
1-975
1-901
1-833
1-771
2-048
1-967
1-894
1-827
1-765
2040
1-999
1-922
1-853
1-789
25
2-065
1-983
1-908
1-840
1-777
1-991
1-915
1-846
1-783
1-725
26
27
28
29
30
1-720
1-667
1-619
1-574
1-532
1-714
1-662
1-614
1-569
1-528
1-709
1-657
1-609
1-565
1-524
1-704
1-652
1-605
1-698
1-647
1-600
1-557
1-516
1-693
1-642
1-596
1-553
1-512
1-688
1-638
1-591
1-548
1-509
1-683
1-633
1-587
1-544
1-505
1-677
1-628
1-582
1-540
31
1-493
1-458
1-424
1-393
1-363
1-490
1-454
1-486
1-418
1-387
1-358
1-479
1-444
1-411
1-352
1-475
1-440
1-408
1-378
1-349
1-472
1-437
1-405
1-375
1-347
1-468
1-434
1-402
1-372
1-344
1-465
1-430
1-399
1-369
1-341
1-461
1-427
1-421
1-482
1-447
1-414
1-384
1-355
1-333
1-308
1-283
1-261
1-239
1-331
1-305
1-281
1-328
1-303
1-279
1-256
1-235
1-325
1-300
1-277
1-254
1-233
1-323
1-298
1-274
1-252
1-231
1-320
1-295
1-272
1-250
1-229
1-318
1-293
1-270
1-248
1-227
1-315
1-291
1-313
1-288
1-265
40
1-336
1-310
1-286
1-263
1-242
41
1-221
1-217
1-198
1-215
1-197
1-179
1-162
1-146
1-212
1-193
1-175
1-159
1-143
1-210
1-202
1-184
1-167
1-219
1-200
1-182
1-165
1-149
1-213
42
43
44
45
1-174
1-157
1-208
1-189
1-172
1-155
1-206
1-188
1-170
1-141
1140
1-138
1-132
1-118
1-104
1131
1-129
1-115
1091
1090
y (mm)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
22
23
24
32
33
34
35
36
37
38
39
2-371
2-258
1-151
46
47
48
49
1-135
1-121
1-107
50
1-081
51
1069
52
53
54
55
1-057
1-047
1-036
1-026
56
57
58
59
60
1-017
1-008
61
62
63
64
65
66
67
68
69
70
1093
1-390
1-360
1-134
1-119
1105
1092
1080
1-068
1-056
1-046
1-035
1-025
1-451
1-259
1-237
1180
1-164
1-147
3143
1-959
1-887
1-820
1-759
1-561
1-520
1-116
1-103
1-078
1-077
1067
1-065
1-054
1-043
1-033
1-023
1-055
1-044
1-034
1-024
1-381
1-195
1-177
11 60
1-144
3-334
3099
1-873
1-808
1-748
1-191
21-443
14-059
10-465
6119
6030
5-336
4-734
4-258
5-269
4-682
4-215
3-837
5-944
5-203
4-630
4-174
3-803
1-929
1-859
1-795
1-737
1-731
1-501
1-267
1-246
1-225
1154
1-125
1-123
1111
1099
1-088
1-076
1-097
1-085
1109
1096
1074
1072
1-064
1063
1-062
1061
1053
1042
1-052
1051
1-050
1041
1031
1040
1030
1-021
1021
1039
1029
1020
1-012
1-003
0-995
1011
1-002
1101
1-032
1-022
1-007
0-998
0-990
0-982
1005
0-997
0-989
0-981
0-996
0-988
0-980
0-996
0-987
0-980
0-975
0-968
0-961
0-954
0-947
0-974
0-967
0-960
0-953
0-947
0-974
0-966
0-959
0-953
0-946
0-973
0-966
0-959
0-952
0-945
0-972
0-965
0-958
0-971
0-951
0-945
0-951
0-941
0-935
0-941
0-935
0-940
0-934
0-929
0-924
0-918
0-929
0-923
0-918
0-928
0-923
0-917
0-939
0-933
0-928
0-922
0-917
9-939
0-933
0-927
0-922
0-916
0-938
0-932
0-927
1-014
1-742
22-633
14-560
10-739
8-513
7-057
3-871
1-801
116
0-987
0-979
0-964
0-957
0-944
0-921
0-916
1-086
0-9
23-963
15-098
11-028
8-693
7-179
1-126
1-112
0-999
0-991
0-983
1015
1006
11-333
8-881
7-306
0-8
1-128
1-114
1-100
1-087
1-075
1013
1004
1016
0-7
0-6
1-083
1-071
8-341
6-938
3014
2166
2-074
1-672
1-623
1-578
1-536
1-497
1-396
1-366
1-339
1-244
1-223
1-204
1-186
1-169
1-152
1-137
1-122
1-108
1095
1082
1070
1060
1049
1038
1-059
1-048
1-028
1-027
1037
1019
1018
1010
1-009
1-009
1-002
0-993
0-985
0-977
1001
1000
0-992
0-984
0-977
0-991
0-983
0-957
0-950
0-944
0-970
0-963
0-956
0-949
0-943
0-969
0-962
0-955
0-949
0-942
0-968
0-961
0-955
0-948
0-942
0-938
0-932
0-926
0-921
0-915
0-937
0-931
0-925
0-920
0-915
0-936
0-930
0-925
0-919
0-914
0-936
0-930
0-924
0-919
0-914
0-994
0-986
0-978
0-971
0-963
0-976
TABLE
2.4.3C (continued)
(mm)

Camera radius: 57-30 mm. III. CuKol: 1 5418
y (mm)
0-0
88-352
44-196
29-486
22-138
17-735
14-804
12-714
11-149
9-936
8-967
2
3
7
8
9
10
0-1
80-322
42-094
28-538
21-601
17-390
14-564
12-537
11014
9-829
8-881
8106
0-2
0-3
0-4
0-5
0-6
0-7
0-8
0-9
73-631
40-183
27-649
21-089
17-058
67-970
38-439
26-814
20-602
16-739
63-118
36-840
26-028
58-912
35-369
25-287
55-233
16-431
19-691
16-135
24-587
19-266
15-850
49-101
31-587
23-298
18-468
15-309
46-519
30-500
22-703
20136
51-987
32-754
23-925
18-859
15-574
14-331
12-366
10-883
9-725
8-797
14106
12199
13-889
12-037
10-629
9-523
8-633
13-678
11-879
10-506
9-426
8-553
13-473
11-725
10-387
9-330
8-475
13-275
11-576
10-270
9-237
8-399
13-082
11-430
12-895
11-288
10156
10045
9-
145
8-324
9-055
8-250
7-968
7-346
6-819
6-367
5-976
7-901
7-835
7-233
6-723
6-284
5-904
7-770
7-179
6-676
6-244
5-869
7-706
7-125
6-630
6-204
5-834
7-643
7-072
6-584
6-165
5-800
7-582
5-635
5-334
5-067
5-603
5-306
5-042
4-807
4-597
5-571
5-278
5-018
5-540
5-251
4-993
4-763
4-557
5-510
5-224
4-969
4-742
4-538
5-480
5-197
4-945
4-720
4-518
5-450
5-170
4-922
4-699
4-499
4-389
4-218
4-063
4-371
4-353
4-186
4-336
4-202
4048
4034
4170
4019
3-921
3-908
3-779
3-895
3-767
3-881
3-755
4-318
4-154
4-005
3-868
3-743
3-661
3-553
3-452
3-359
3-273
3-650
3-542
3-443
3-350
3-265
3-639
3-532
3-433
3-341
3-256
3-628
3-522
3-424
3-333
3-248
10-754
9-623
8-714
8-177
7-521
6-968
6-496
7-462
6-917
6-452
8-037
7-403
6-868
6-409
6088
6050
6013
20
5-732
5-420
5-144
4-898
4-678
5-699
5-391
5-118
4-875
4-658
5-667
5-362
5-093
4-852
4-637
4-830
4-617
21
4-480
22
23
24
25
4-301
4-462
4-284
4-123
3-977
3-842
4-443
4-267
4-425
4-251
4108
4093
3-963
3-830
3-949
3-817
4-406
4-234
4-078
3-935
3-804
26
27
28
29
30
3-731
3-617
3-512
3-414
3-324
3-719
3-606
3-501
3-405
3-315
3-707
3-595
3-491
3-396
3-307
3-696
3-584
3-482
3-386
3-298
3-684
3-574
3-472
3-377
3-290
3-673
3-563
3-462
3-368
3-281
31
3-240
3-162
3-089
3-021
2-958
3-232
3-154
3-082
3-015
2-951
3-224
3-147
3-075
3-216
3-208
3-132
2-898
2-842
2-790
2-740
2-693
2-892
2-837
2-784
2-735
2-689
2-649
2-608
2-569
11
12
13
14
15
16
17
18
19
32
33
34
35
36
37
38
39
40
4-139
3-991
3-855
7-289
6-770
6-325
5-940
4-785
4-577
3-792
3401
18094
15-052
7019
6-540
6-126
5-766
3193
3-185
3-177
3-170
3-118
3110
3048
3-041
3103
3034
3096
3028
2-983
2-921
2-976
2-915
2-970
2-910
2-964
2-904
3-068
3-002
2-939
3061
2-995
2-933
3-200
3-125
3-055
2-989
2-927
2-887
2-881
2-831
2-779
2-730
2-684
2-826
2-774
2-726
2-680
2-875
2-821
2-769
2-721
2-676
2-870
2-815
2-764
2-716
2-671
2-864
2-810
2-759
2-712
2-667
2-858
2-805
2-755
2-707
2-662
2-853
2-800
2-750
2-703
2-658
2-848
2-795
2-745
2-698
2-654
2-641
2-600
2-561
2-524
2-489
2-637
2-596
2-557
2-521
2-486
2-633
2-592
2-553
2-517
2-483
2-628
2-588
2-550
2-514
2-479
2-624
2-584
2-546
2-510
2-476
2-620
2-580
2-542
2-507
2-473
2-616
2-576
2-539
2-503
2-469
2-612
2-572
2-535
2-500
2-466
2-444
2-413
2-383
2-356
2-329
2-440
2-410
2-381
2-353
2-327
2-437
2-407
2-378
2-350
2-324
2-434
2-404
2-375
2-348
2-297
2-273
2-250
2-229
2-208
2-188
2-169
2-151
2-134
2-117
3008
2-945
3140
45
2-496
2-645
2-604
2-565
2-528
2-493
46
47
2-463
2-431
2-401
2-372
2-345
2-459
2-428
2-398
2-369
2-342
2-456
2-425
2-395
2-367
2-340
2-453
2-422
2-392
2-364
2-337
2-450
2-419
2-389
2-334
2-447
2-416
2-386
2-358
2-332
2-316
2-292
2-268
2-246
2-224
2-314
2-289
2-266
2-244
2-222
2-311
2-309
2-285
2-261
2-239
2-218
2-306
2-282
2-259
2-237
2-216
2-304
2-280
2-257
2-235
2-214
2-301
55
2-319
2-294
2-271
2-248
2-226
2-277
2-255
2-233
2-212
2-299
2-275
2-252
2-231
2-210
56
57
58
59
60
2-206
2-186
2-167
2-149
2-132
2-204
2-184
2-165
2-147
2-202
2-182
2-164
2-146
2-128
2-200
2-180
2-162
2-144
2-127
2-198
2-178
2-194
2-175
2192
2-190
2-142
2-125
2-196
2-177
2-158
2-140
2-123
2-173
2-155
2-137
2-120
2-171
2-153
2-135
61
2-115
2-112
2-110
2-109
2-107
2-106
2099
2096
2081
2067
2095
2080
2065
2093
2092
2090
2-053
2-051
2-078
2-064
2-050
2-077
2-062
2-048
2-075
2-061
2-047
2-104
2-089
2-074
2-059
2-046
2-102
2-087
2-072
2-058
2-044
2-101
62
63
64
65
2-114
2-098
2-083
2-068
2-054
66
67
68
69
70
2-042
2-029
2-016
2-004
1-992
2-040
2-027
2039
2026
2-038
2-025
2036
2-035
2-022
2-034
2-021
2-033
2-031
2030
2020
2015
2003
2-014
2012
2010
2009
2-019
2-006
2005
2002
1-991
1-990
2-001
1-989
1-998
1-987
1-997
1-986
2-008
1-996
1-985
1-995
1-983
1-994
1-982
41
42
43
44
48
49
50
51
52
53
54
2-531
2-084
2069
2-055
2130
2-287
2-264
2-241
2-220
2-361
2160
2-024
2-011
1-999
1-988
117
2156
2-139
2-122
2-119
2-321
2086
2-071
2-057
2-043
2-017
TABLE
2.4.3C {continued)
(mm)

Camera radius: 57-30 mm. IV. NiflTa: 1-6591
00
01
0-2
0-3
0-4
0-5
0-6
0-7
0-8
0-9
95074
73-141
41-363
28-854
22-169
27-210
21-668
17-682
21189
18-713
17-363
17056
52-837
33-990
25-071
19-873
16-473
32-821
24-431
19-471
19084
55-942
35-246
25-745
20-293
16-759
50059
28008
59-435
36-599
26-457
20-732
79-233
43-241
29-752
22-694
18-356
67-920
39-643
86-433
45-297
30-709
23-244
63-394
47-559
31-730
23-823
15-930
14-498
12-617
11-177
14-285
12-456
11052
10143
10040
9-939
10
9-650
13-127
11-572
10-355
9-377
14-945
12-953
11-438
10-248
9-290
14-718
12-783
11-306
13-681
11-998
10-692
15-422
13-306
11-711
10-465
9-466
15180
7
8
15-672
13-491
11-852
10-577
9-557
9-204
9120
9038
14-077
12-299
10-929
9-841
8-957
13-876
12-147
10-809
9-744
8-877
11
8-800
8-723
8029
8-361
7-725
7-498
6-990
6-551
7-444
6-943
6-510
8-502
7-844
7-285
6-807
6-392
8-292
7-667
7-134
6-676
6-278
8-225
7-610
7-085
6-634
6-241
8159
8093
8-574
7-904
7-337
6-851
6-431
8-431
12
13
8-648
7-966
7-390
6-897
6-470
16
17
18
19
6169
6-133
5-801
5-508
5-246
6098
6063
6029
5-833
5-536
5-271
5-897
5-592
5-322
5012
5-710
5-426
5-173
4-946
5-929
5-621
5-347
5034
5-740
5-453
5-197
4-968
5-995
5-680
5-400
20
5-770
5-480
5-222
4-990
5-864
5-564
5-296
5-057
4-841
21
4-821
4-628
4-454
4-294
4-801
4-781
4-761
4-592
4-421
4-264
4-121
4-574
4-404
4-249
4-742
4-557
4-388
4-234
4-722
4-539
4-372
4-220
4149
4-610
4-437
4-279
4-135
4107
4094
26
27
28
29
30
4015
4002
3-892
3-779
3-674
3-577
3-880
3-768
3-664
3-567
3-990
3-869
3-757
3-654
3-558
3-977
3-857
3-746
3-644
3-549
31
3-486
3-403
3-324
3-251
3-183
3-478
3-394
3-317
3-244
3-176
3-469
3-386
3-309
3-237
3-461
3-378
3-302
3169
3-118
3112
3052
3106
3-
3041
2-996
2-943
2-893
3-047
2-991
2-938
2-889
y (mm)
1
2
3
14
15
22
23
24
25
32
33
34
35
36
37
38
39
3058
3002
18012
38060
7-784
7-234
6-762
6-353
5149
7-184
6-719
6-315
5-962
5-650
5-373
5-126
4-904
16197
7-553
7-037
6-592
6-204
5103
5080
4-883
4-862
4-684
4-504
4-647
4-470
4-310
4191
4-665
4-487
4-325
4-177
4080
4-703
4-522
4-356
4-205
4-067
4-054
4041
4-028
3-965
3-846
3-736
3-634
3-540
3-952
3-834
3-725
3-624
3-531
3-940
3-823
3-715
3-615
3-522
3-928
3-812
3-704
3-605
3-513
3-916
3-904
3-790
3-684
3-586
3-495
3-452
3-371
3-294
3-223
3-444
3-363
3-287
3-216
3156
3150
3-427
3-347
3-272
3-203
3-137
3-419
3-339
3-265
3-196
3163
3-435
3-355
3-280
3-209
3-144
3131
3-332
3-258
3-189
3-125
100
3-088
3082
3030
3070
3013
3064
3007
2-975
2-923
2-874
3-024
2-969
2-918
2-870
3076
3018
2-985
2-933
2-884
3-094
3-035
2-980
2-928
2-879
2-964
2-913
2-865
2-959
2-908
2-860
2-954
2-903
2-856
2-815
2-772
2-732
2-693
2-657
2-811
2-768
2-728
2-690
2-654
3-230
4-925
4-341
3-801
3-694
3-596
3-504
4163
3-411
40
2-948
2-898
41
2-851
42
43
44
45
2-806
2-764
2-724
2-686
2-846
2-802
2-760
2-720
2-682
2-842
2-798
2-756
2-716
2-679
2-837
2-793
2-752
2-712
2-675
2-833
2-789
2-748
2-709
2-671
2-828
2-785
2-744
2-705
2-668
2-664
2-819
2-776
2-736
2-697
2-661
46
47
48
49
50
2-650
2-616
2-584
2-553
2-523
2-647
2-613
2-580
2-550
2-520
2-643
2-609
2-577
2-547
2-518
2-640
2-606
2-574
2-544
2-515
2-636
2-603
2-571
2-541
2-512
2-633
2-600
2-568
2-538
2-509
2-629
2-596
2-565
2-535
2-506
2-626
2-593
2-562
2-532
2-504
2-623
2-590
2-559
2-529
2-501
2-619
2-587
2-556
2-526
2-498
51
2-495
2-469
2-443
2-419
2-396
2-493
2-466
2-441
2-417
2-394
2-490
2-464
2-438
2-414
2-485
2-458
2-433
2-410
2-387
2-482
2-456
2-431
2-479
2-453
2-429
2-405
2-382
2-477
2-451
2-391
2-487
2-461
2-436
2-412
2-389
2-426
2-403
2-380
2-474
2-448
2-424
2-400
2-378
2-471
52
53
54
55
56
57
58
59
60
2-374
2-352
2-332
2-313
2-294
2-371
2-369
2-348
2-328
2-309
2-290
2-367
2-346
2-326
2-307
2-289
2-365
2-344
2-324
2-305
2-287
2-363
2-342
2-322
2-303
2-285
2-301
2-283
2-359
2-338
2-318
2-300
2-281
2-357
2-336
2-317
2-298
2-280
2-354
2-334
2-315
2-296
2-278
61
2-276
2-259
2-243
2-227
2-212
2-274
2-257
2-241
2-225
2-210
2-271
2-269
2-252
2-236
2-221
2-206
2-268
2-251
2-235
2-219
2-204
2-266
2-249
2-233
2-218
2-203
2-264
2-247
2-231
2-216
2-201
2-262
2-246
2-230
2-215
2-200
2-261
2-197
2-183
2-170
2-157
2-144
2196
2190
2-189
2-175
2-162
2-187
2-174
2-186
2-172
2160
2159
2149
2-148
2-136
2-146
2-134
2-184
2-171
2-158
2-145
62
63
64
65
66
67
68
69
70
2-350
2-330
2-311
2-292
2-182
2-168
2-155
2-143
2-273
2-256
2-239
2224
2-209
2-194
2-180
2-167
2-154
2-142
2-254
2-238
2-222
2-207
2193
2-179
2166
2-153
2140
2-191
2-178
2-164
2-151
2-139
118
2-407
2-385
2-176
2163
2150
2-138
2-824
2-781
2-740
2-701
2-361
2-340
2-320
2-137
2-446
2-421
2-398
2-376
2-244
2-228
2-213
2-198
2133
TABLE
2.4.3C {continued)
(mm)

Camera radius: 57-30 mm. V. CoKa: 1-7902
y (mm)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
00
01
0-2
0-3
0-4
102-586
51-317
34-237
25-705
20-592
93-263
48-876
33-136
78-921
25081
20191
85-494
46-657
32-103
24-487
19-806
44-632
31-134
23-921
19-436
73-287
42-775
30-221
23-380
68-404
41-067
29-361
22-864
19079
17-189
14-762
12-946
11-536
10-412
16-910
14-557
12-789
11-413
10-312
16-640
14-358
12-636
11-292
10-214
16-379
14-164
12-487
11-173
16126
9-495
8-733
9-412
8-664
9-331
8-596
8091
8032
7-542
7-068
7-492
7-025
7-974
7-442
9-252
8-529
7-917
7-393
6-939
6-981
10118
0-5
0-6
0-7
0-8
0-9
60-362
57012
54014
38031
36-676
27-052
21-444
17-775
35-414
26-361
18-735
64-132
39-491
28-548
22-370
18-403
15-881
13-793
15-644
13-614
15190
14-973
12060
11058
10024
10-944
9-931
10-833
9-841
13-271
11-792
10-618
9-665
13106
12199
15-413
13-441
11-925
10-725
9-752
9174
9097
9022
8-463
7-861
7-344
6-897
8-399
7-806
7-297
6-855
8-335
7-752
7-250
6-814
8-948
8-272
7-698
7-204
6-774
8-875
8-211
7-645
7-158
6-734
8-803
8-150
7-593
6-433
6-398
6-362
6-328
6097
6065
6034
6003
5-798
5-531
5-291
5-770
5-506
5-269
5-742
5-481
5-246
5-715
5-456
5-224
5-034
4-842
4-667
4-507
4-360
4-824
4-650
4-491
4-346
13-976
12-341
27-780
21-897
18-084
21009
17-477
11-663
10-514
9-579
7113
6-695
6-656
6-294
5-973
5-688
5-432
6-618
6-260
5-943
5-661
5-408
6-580
6-226
5-913
5-634
5-384
6-542
6-505
6193
6161
5-884
5-608
5-361
5-855
5-582
5-337
6-469
6-128
5-826
5-556
5-314
5-180
4-974
4-788
4-617
4-461
5-159
4-955
4-770
4-601
4-447
5-138
4-936
4-752
4-585
4-432
5-116
4-917
4-735
4-569
4-417
5096
5075
5054
22
23
24
25
5-202
4-994
4-805
4-634
4-476
4-898
4-718
4-553
4-403
4-879
4-700
4-538
4-388
4-860
4-684
4-522
4-374
26
27
28
29
30
4-332
4-200
4-077
3-964
3-859
4-318
4-187
4-291
4-278
4-265
4-137
4-251
4-125
4-212
4101
4089
4020
4008
3-921
3-820
3-911
3-810
3-900
3-800
4-238
4-113
3-997
3-890
3-790
4-225
4-162
4-042
3-932
3-829
4149
4031
3-953
3-849
4-305
4-174
4-054
3-943
3-839
3-986
3-880
3-781
3-975
3-869
3-771
31
3-762
3-671
3-587
3-508
3-434
3-753
3-663
3-579
3-500
3-427
3-743
3-654
3-571
3-493
3-420
3-734
3-645
3-563
3-485
3-413
3-725
3-637
3-555
3-478
3-406
3-716
3-628
3-547
3-470
3-399
3-707
3-620
3-539
3-463
3-392
3-698
3-612
3-531
3-456
3-385
3-689
3-603
3-523
3-449
3-378
3-680
3-595
3-516
3-365
3-300
3-239
3-181
3-127
3-358
3-294
3-233
3-352
3-287
3-227
3-170
3-117
3-345
3-281
3-221
3-165
3-112
3-338
3-275
3-216
3-159
3-332
3-269
3-210
3-154
3-325
3-263
3-204
3-319
3-257
3-313
3-251
3198
3-143
3107
3101
3149
3096
3091
3193
3138
3086
3-306
3-245
3-187
3076
3028
3-071
3066
3019
3062
3014
3-057
3052
3005
3-047
3023
2-978
2-935
2-894
2-974
2-931
2-890
2-969
2-927
2-886
2-965
2-923
2-883
2-961
45
2-982
2-939
2-898
2-919
2-879
2-956
2-914
2-875
3-042
2-996
2-952
2-910
2-871
3-037
2-991
2-948
2-906
2-867
3-033
2-987
2-943
2-902
2-863
46
47
48
49
50
2-860
2-823
2-788
2-754
2-723
2-856
2-819
2-784
2-751
2-720
2-852
2-816
2-781
2-748
2-717
2-848
2-812
2-778
2-745
2-713
2-845
2-808
2-774
2-742
2-710
2-841
2-805
2-771
2-738
2-707
2-837
2-801
2-767
2-735
2-704
2-834
2-798
2-764
2-732
2-701
2-830
2-795
2-729
2-698
2-826
2-791
2-758
2-726
2-695
51
2-693
2-664
2-636
2-610
2-585
2-690
2-684
2-655
2-628
2-602
2-578
2-681
2-653
2-634
2-608
2-583
2-687
2-658
2-631
2-605
2-580
2-626
2-600
2-575
2-678
2-650
2-623
2-597
2-573
2-675
2-647
2-620
2-595
2-571
2-672
2-644
2-618
2-592
2-568
2-669
2-642
2-615
2-590
2-566
2-667
2-639
2-613
2-588
2-564
2-559
2-536
2-514
2-493
2-473
2-557
2-534
2-512
2-491
2-471
2-554
2-532
2-510
2-489
2-469
2-552
2-529
2-508
2-487
2-468
2-550
2-527
2-506
2-485
2-466
2-547
2-525
2-504
2-483
2-464
2-545
2-523
2-502
2-481
2-462
2-543
2-521
2-500
2-479
2-460
2-541
2-519
2-497
2-477
2-458
2-450
2-432
2-415
2-398
2-382
2-449
2-430
2-413
2-396
2-380
2-447
2-429
2-411
2-395
2-378
2-445
2-427
2-410
2-393
2-377
2-443
2-425
2-408
2-391
2-375
2-441
2-423
2-406
2-390
2-374
2-439
2-422
2-404
2-388
2-372
2-366
2-351
2-337
2-323
2-309
2-365
2-350
2-335
2-321
2-308
2-363
2-348
2-334
2-320
2-307
2-362
2-347
2-332
2-319
2-306
2-360
2-345
2-359
2-344
2-330
2-316
2-303
2-357
2-342
2-328
2-315
2-302
16
17
18
19
20
21
32
33
34
35
36
37
38
39
40
41
42
43
44
52
53
54
55
4066
3176
3-122
2-661
56
57
58
59
60
2-561
2-538
61
2-456
2-438
2-420
2-403
2-386
2-454
2-436
2-418
2-401
2-385
2-452
2-434
2-416
2-399
2-383
2-371
2-369
2-354
2-340
2-326
2-312
2-368
2-353
2-338
2-324
2-311
62
63
64
65
66
67
68
69
70
2-516
2-495
2-475
2-356
2-341
2-327
2-313
3009
119
3000
2-331
2-317
2-304
2-761
5014
3-441
3-372
3133
3081
TABLE
2.4.3C {continued)
(mm)

Camera radius: 57-30 mm. VI. Fetfa: 1-9373
y (mm)
1
2
3
4
5
6
7
8
00
0-1
0-2
0-3
0-4
92-519
50-491
79-308
46-290
32-704
25-301
20-646
74-025
44-442
31-773
24-742
20-274
0-5
111-016
55-533
37-050
27-817
22-284
100-927
52-892
35-858
27-142
21-851
26-499
21-434
85-406
48-299
33-692
25-886
21-033
18-601
15-975
18-299
15-753
13-840
12-351
11-159
18-008
15-538
13-674
12-220
11-053
17-725
15-328
13-513
12-092
10-949
17-451
15-124
13-355
11-966
10-847
17-186
14-926
13-202
11-844
10-747
9-928
9-159
8-507
7-948
7-464
9-845
9-089
8-447
7-896
7-419
14009
34-731
0-9
0-6
0-7
0-8
69-401
65-322
41-156
30-062
23-696
19-570
61-696
39-690
29-274
23-206
19-236
58-453
38-324
28-527
22-735
18-913
16-680
14-545
12-905
11-606
10-553
16-438
14-362
12-761
11-491
10-459
16-203
14-183
12-621
11-378
10-366
9-683
8-952
8-330
7-795
7-331
9-604
8-886
8-273
7-746
7-287
9-527
8-820
8-217
7-697
7-245
6-923
6-564
6-244
5-958
6-885
6-530
6-214
5-931
5-677
6-848
6-497
6-184
5-905
5-653
5-448
5-240
4-877
4-718
5-426
5-220
5-032
4-861
4-703
42-736
30-894
24-208
19-916
16-929
14-733
13051
9
10
12-484
11-268
11
10-275
9-451
8-755
8-162
7-649
10186
10098
10012
9-376
8-692
8-107
7-602
9-302
8-629
8-053
7-555
9-230
8-568
7-203
6-811
6-464
6-155
5-878
7-161
7-120
6-738
6-399
6-097
5-826
7080
7040
7001
6-702
6-367
6-069
5-801
6-667
6-336
6-632
6-305
6041
6013
5-776
5-751
6-962
6-598
6-274
5-985
5-726
5-606
5-383
4-997
4-828
5-583
5-362
5-162
4-979
4-812
5-560
22
23
24
25
5-630
5-405
5-200
5-014
4-844
4-962
4-796
5-537
5-321
5-124
4-944
4-780
5-514
5-300
5-105
4-927
4-765
5-492
5-280
5-087
4-910
4-749
5-470
5-260
5-068
4-894
4-734
26
27
28
29
30
4-688
4-545
4-412
4-290
4-176
4-673
4-531
4-400
4-278
4-166
4-659
4-517
4-387
4-267
4-155
4-644
4-504
4-375
4-255
4-144
4-629
4-490
4-362
4-243
4-133
4-615
4-477
4-350
4-232
4-123
4-601
4-572
4-438
4-314
4-198
4-558
4-425
4-302
4-187
4-112
4-586
4-451
4-326
4-210
4-102
4092
4081
31
4061
4051
4041
4031
4021
4011
4002
32
33
34
35
4-071
3-973
3-882
3-796
3-716
3-964
3-873
3-788
3-709
3-954
3-864
3-780
3-701
3-945
3-855
3-772
3-693
3-936
3-847
3-764
3-686
3-927
3-838
3-756
3-678
3-917
3-830
3-748
3-671
3-908
3-821
3-740
3-663
3-992
3-899
3-813
3-732
3-656
3-983
3-890
3-804
3-724
3-649
36
37
38
39
3-641
3-571
3-505
3-443
3-634
3-564
3-499
3-437
3-379
3-627
3-558
3-492
3-620
3-486
3-425
3-367
3-606
3-538
3-474
3-413
3-356
3-599
3-431
3-373
3-613
3-544
3-480
3-419
3-362
3-592
3-524
3-461
3-402
3-345
3-585
3-518
3-455
3-396
3-340
3-578
3-511
3-449
3-390
3-334
3-324
3-272
3-223
3-176
3-132
3-318
3-267
3-218
3-172
3-128
3-313
3-262
3-213
3-167
3-124
3-308
3-257
3-208
3-163
3-297
3-247
3-287
3-237
3-282
3-232
3190
3185
3-154
3-292
3-242
3-194
3-150
3119
3-303
3-252
3-204
3-158
3-115
3111
3107
3-145
3-103
3099
3-094
3090
3055
3017
3051
3013
3-086
3-047
3-082
3-043
3009
2-981
2-946
2-977
2-943
2-974
2-940
2-970
2-936
3-078
3-039
3-002
2-967
2-933
3-074
3-035
2-998
2-963
2-930
3-070
3-032
2-995
2-960
2-927
3-028
2-991
2-957
2-923
3-062
3-024
2-988
2-953
2-920
2-984
2-950
2-917
2-914
2-883
2-853
2-825
2-798
2-911
2-880
2-850
2-822
2-795
2-907
2-877
2-847
2-819
2-792
2-904
2-874
2-844
2-816
2-790
2-901
2-871
2-841
2-814
2-787
2-898
2-868
2-839
2-811
2-784
2-895
2-865
2-836
2-808
2-782
2-892
2-862
2-833
2-806
2-779
2-889
2-859
2-830
2-803
2-777
2-886
2-856
2-827
2-800
2-774
2-764
2-740
2-716
2-694
2-672
2-762
2-737
2-714
2-692
2-670
2-759
2-735
2-712
2-689
2-668
2-757
2-733
2-709
2-687
2-666
2-754
2-730
2-707
2-685
2-664
2-752
2-728
2-705
2-683
2-662
2-749
2-725
2-703
2-681
2-660
2-646
2-626
2-608
2-589
2-572
2-644
2-624
2-606
2-588
2-571
2-642
2-622
2-604
2-586
2-569
2-640
2-621
2-602
2-584
2-567
2-556
2-540
2-524
2-509
2-495
2-554
2-538
2-523
2-508
2-494
2-552
2-536
2-521
2-506
2-492
2-551
2-535
12
13
14
15
16
17
18
19
20
21
40
3-384
41
3-329
3-277
3-227
3-181
42
43
44
45
46
47
48
49
50
51
52
53
54
55
3136
6-774
6-431
6-126
5-852
5-181
8 000
7-509
5-341
5-143
3-551
006
2-772
2-747
2-723
2-700
2-679
2-769
2-744
2-698
2-677
2-767
2-742
2-719
2-696
2-674
2-656
2-636
2-617
2-598
2-581
2-654
2-634
2-615
2-597
2-579
2-652
2-632
2-613
2-595
2-577
2-650
2-630
63
64
65
2-658
2-638
2-619
2-600
2-582
2-576
2-648
2-628
2-609
2-591
2-574
66
67
68
69
70
2-565
2-549
2-533
2-518
2-504
2-564
2-547
2-532
2-517
2-502
2-562
2-546
2-530
2-515
2-501
2-560
2-544
2-529
2-514
2-499
2-559
2-543
2-527
2-512
2-498
2-557
2-541
2-526
2-511
2-496
56
57
58
59
60
61
62
2-721
2-611
2-593
120
11-724
10-649
9-763
9020
8-388
7-846
7-374
4-464
4-338
4-221
3-531
3-467
3-407
3-351
3199
5-701
3066
5050
3-141
059
3020
2-520
2-505
2-491
TABLE
2.4.3C (continued)
(mm)

Camera radius: 57-30 mm. VII. Crtfa: 2-2909 A
y (mm)
1
2
3
4
5
93-784
54-739
38-673
29-919
24-415
87-536
52-553
37-572
29-258
23-975
82-069
50-536
36-533
28-626
23-551
77-245
48-668
35-549
28-021
23-141
72-957
46-934
34-618
21-294
18-374
20-960
20-637
20019
18126
15-979
14-299
12-948
17-422
15-434
13-863
12-593
19-724
17-200
15-260
13-724
12-479
19-438
16-983
16170
17-885
15-793
14-150
12-827
20-323
17-650
11-840
10-915
11-740
10-830
11-641
10-748
10-204
9-523
8-934
10131
10060
9-460
8-880
9-399
8-826
9-989
9-338
8-773
11-545
10-666
9-920
9-278
8-720
119-348
62-546
42-403
32-096
25-839
109-406
59-707
41-082
31-336
25-346
0-3
21-996
18-891
16-566
14-763
21-639
18-629
16-366
14-605
10
13-324
13196
11
12-151
12
13
14
15
11-176
10-353
9-651
9045
12-045
11-087
10-278
9-587
8-989
16
17
18
19
8-518
8-054
7-644
7-278
6-951
8-468
8-011
7-605
7-244
6-920
8-420
7-968
7-567
7-210
6-890
8-372
7-926
7-530
7-176
6-860
8-325
7-884
7-492
7-143
6-830
8-278
7-843
7-456
6-657
6-391
6-629
6-366
6-127
5-909
5-709
6-602
6-574
6-316
6-547
6-292
6-521
6-267
6-104
5-888
5-690
6081
6059
5-867
5-671
5-847
5-653
5-526
5-358
5-203
5-491
5-326
5-173
5-474
5-310
5-158
5-032
4-900
5018
4-888
21
22
23
24
25
6150
5-930
5-728
0-8
100-994
57-115
39-841
30-611
24-871
131-278
65-669
43-813
32-894
26-351
0-2
20
0-7
0-5
01
6
8
0-6
0-4
0-0
14-450
13-071
11-941
11000
6-341
27-441
22-746
0-9
69-121
45-319
33-734
26-885
22-365
19160
13-588
12-368
16-772
14-925
13-455
12-258
11-450
10-586
9-851
9-218
8-669
11-357
10-507
9-783
11-266
10-430
9-717
9160
9102
8-618
8-567
8-232
7-802
7-419
7-078
6-771
8-187
7-762
7-384
8098
6-742
8-142
7-722
7-348
7-014
6-713
6-468
6-220
5-993
5-787
5-598
6-442
6-196
5-972
5-767
5-580
6-416
6-173
6-037
5-827
5-634
6-494
6-243
6-015
5-807
5-616
5-457
5-294
5-144
5-440
5-279
5-129
5-391
005
*991
4-875
5-407
5-248
5-101
4-965
4-838
15-611
14-005
12-709
7110
6-800
7046
15091
7-682
7-313
6-982
6-685
5-951
5-748
5-562
26
27
28
29
30
5-544
5-374
5-218
5-073
4-939
4-926
5-509
5-342
5-188
5-045
4-913
4-863
5-424
5-263
5-115
4-978
4-851
31
4-814
4-698
4-590
4-489
4-395
4-802
4-687
4-580
4-479
4-385
4-790
4-676
4-569
4-470
4-376
4-779
4-665
4-559
4-460
4-367
4-767
4-654
4-549
4-451
4-358
4-755
4-643
4-539
4-441
4-350
4-744
4-632
4-529
4-432
4-341
4-732
4-622
4-519
4-422
4-332
4-721
4-611
4-306
4-223
4-145
4-297
4-215
4-137
4-064
3-995
4-289
4-207
4-281
4-199
4-264
4-183
4-256
4-175
4-247
4-168
4-239
4-231
4130
4057
4-122
4108
4036
4100
4029
4093
4160
4086
4016
4-152
4-078
3-989
3-982
4-272
4-191
4-115
4-043
3-975
3-969
3-962
32
33
34
35
36
37
38
39
40
41
42
43
44
45
4071
4002
3-937
3-875
3-817
3-761
3-709
5059
3-930
3-869
3-811
3-756
3-704
3-924
3-863
3-805
3-751
3-699
4050
3-918
3-857
3-800
3-745
3-694
3-912
3-851
3-794
3-740
3-689
3-905
3-845
3-789
3-735
3-684
4-022
3-956
4-509
4-413
4-323
5-233
5-087
4-952
4-826
4-709
4-601
4-499
4-404
4-315
4009
3-949
3-943
3-881
3-822
3-767
3-714
3-617
3-572
3-529
3-488
3-449
3-899
3-840
3-783
3-730
3-679
3-893
3-834
3-778
3-724
3-674
3-887
3-828
3-772
3-719
3-669
3-626
3-621
3-581
3-537
3-496
3-457
3-576
3-533
3-492
3-453
3-420
3-384
3-350
3-318
3-287
3-416
3-381
3-347
3-314
3-284
3-412
3-377
3-343
3-257
3-228
3-254
3-226
3-199
3-173
3-148
3-251
3-223
3-664
46
47
48
49
50
3-659
3-612
3-567
3-525
3-484
3-654
3-608
3-563
3-521
3-480
3-650
3-603
3-559
3-516
3-476
3-645
3-598
3-554
3-512
3-472
3-640
3-594
3-550
3-508
3-469
3-635
3-589
3-546
3-504
3-465
3-631
3-585
3-542
51
3-446
3-409
3-374
3-340
3-308
3-442
3-405
3-370
3-337
3-305
3-438
3-402
3-367
3-334
3-302
3-434
3-398
3-363
3-330
3-299
3-431
3-395
3-360
3-327
3-296
3-427
3-391
3-357
3-324
3-293
3-423
3-388
3-353
3-278
3-248
3-220
3-193
3-168
3-275
3-245
3-217
3-269
3-240
3-212
3-186
3-160
3-266
3-237
3-209
3-183
3-158
3-263
3-234
3-207
3-180
3-155
3-260
3-204
3-178
3-153
3-201
3-175
3-165
3-272
3-243
3-215
3-188
3-163
3-143
3-119
3-141
3-117
3-138
3-115
3-136
3-112
3-133
3-110
3-131
3-108
3-126
3-103
3-124
3-122
3-101
097
3094
090
3086
3-081
3-075
3-054
3-073
3-071
3050
3-064
3-044
3-079
3-058
3-038
3-077
3-056
3052
3088
3066
3046
3-129
3-106
3-083
3-062
3-042
3-034
3-014
2-996
2-978
2-960
3-032
3-012
2-994
2-976
2-959
3030
3026
3-024
3-022
3-020
3-007
2-988
2-971
2-954
3005
3003
3001
2-987
2-969
2-952
2-985
2-967
2-950
2-983
2-966
2-949
3-018
2-999
2-981
2-964
2-947
3-016
2-998
2-980
2-962
2-945
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
3191
092
3-011
2-992
2-974
2-957
3-068
3-048
3-028
3-009
2-990
2-972
2-955
121
3-500
3-461
3-321
3-290
3-231
3150
3060
3-040
3-311
3-281
3-196
3170
3-145
099
3036
2.5.
Standard Crystals for Calibration Purposes
The standard crystals which can be used in powdered or fine crystalline form to calibrate X-ray dif-
a-sodium soap hemihydrates, as given by Minor and

Lingafelter [15], may be of use.
fractometers and cameras, their lattice parameters,

some room-temperature thermal expansion factors and
TABLE
maximum
observable spacings, are given in Tables

2.5.1 and 2.5.2, with correction formulae.
The substances are chosen because there is reasonable accordance between the results of investigators
about
(001) Spacings of a-Sodium Soap Hemihydrates at 20
Substance
Sodium myristate
Sodium palmitate
Sodium stearate
Sodium arachidate
for a standard are:
good powder diagrams, with strong sharp peaks,

evenly spread over the range of angles;
(b)
low background;
(c)
good chemical and crystallographic
(d) availability
and
Formula
Spacing
C 14 H 27 2 Na.|H 2
C 16 H 31 2 Na.H 2
C 18 H 35 2 Na4H
C 20 H 39 O 2 Na.H 2 O
A
A
102-91 A
113-23 A
82-45
92-71
best primary standards are
aluminium and
and lead nitrate.
spacing, depending on
silicon; the next best are tungsten
Owing to the conditions (c) and (d), there are no

substances which provide good standards with large
spacings. For less accurate measurements the (001)
spacings (of which only the even orders occur) of
Quartz gives differences in

variety
dary)
Standard
Lattice
substance
parameter
a(kX)
4-04100
5-41959*
and origin
sodium
in references
Temp.
(Q
and
when
is
suitable as a (secon-
calibrated.
The same
chloride.
2.5.2
some Standard Crystals (corrected
Variation
recorded
[1] [9]
standard only
applies to
TABLE
Lattice Constants of
Silicon
Moderate Spacings
2.5.2.
Large Spacings
Aluminium
definition;
stability.
The
2.5.1.
their parameters.
The other conditions

(a)
2.5.1
Aa/C
for refraction)
Largest
observable
References
given
+0-00003
-0-00009
21
+0-00043
-0-00041
25
93xl0~ 6
2-34
[2] [5] [7] [8]
[13]
[20] [22] [231 [31]
22-5
xlO- 6
3-14
[4] [8]
[10] [17]
[21]
Tungsten
3-15884*
+0-00014
-0-00033
25
14-5
xlO- 6
2-34
[6]
Lead
7-8404
+0-0009
-0-0006
21
216xl0- 6
4-54
[24]
Diamond
3-55984*
+0-00016
-0-00042
25
xlO- 6
2-06
[12] [17] [19] [27]
Sodium
5-62800
+0-00050
-0-00087
18
227 xlO" 6
3-26
[2] [18] [26]
a= 4-9027
+0-0005
-0-0015
18
70xl0" 6
47xl0" 6
4-25
[1] [3] [9] [14]
nitrate
Quartz
chloride
c= 5-3934
2-8
[16] [17] [25]
[25] [28]
[32]
* These are the mean values found for samples distributed to various laboratories taking part in the International Union of
Crystallography Precision Lattice-parameter Project [17].
122
2.5.
STANDARD CRYSTALS FOR CALIBRATION PURPOSES
Reference should be made to the literature for

methods of preparation of standard crystal samples.
For instance, the lattice constant of aluminium varies
along or normal to the axis of a cold-drawn wire [22].
The lattice constant [12] and expansion [27] of diamond vary with texture and purity. Most specimens
For high precision the directly measured value of d,

extrapolated to 0=90, should be corrected for refraction by adding to it a correction [11] [30].
of diamond powder are from Congo diamond, which

is not usually pure. A gem diamond might give a value
lower by about 0-0003 kX than that in Table 2.5.2.
The recommended lattice parameters of the standards and their linear expansion at room temperatures
are given in Table 2.5.2, with a number of references.
Column 3 gives some idea of the range of values
found in the literature of precision measurements. The
original papers should be consulted for information
length in
concerning purity, estimated errors, etc.

The lattice parameter of 99-998% gold has been
determined as 4-070107 kX, with a claimed accuracy
of 0-000008 kX (at 25 C; not corrected for refrac-6
tion; coefficient of linear expansion 14-1 xlO ) [29].
d(l-n)=2-ll x 10-<>VW2Z/2,4
where n= coefficient of X-ray
refraction,
A=the wave-
A (in vacuo) of the radiation used, />= density
g/cm 3 of the specimen, 2Z=sum of atomic numbers

of the atoms in the unit cell, and 2,4= the sum of the
atomic weights of the atoms in the unit cell.
For cubic substances this formula can be applied in
the form
in
a(l-n) = 4-41x 10~ 6 (A/a) 2 2Z
[11].
which <2=lattice parameter in
This correction applied to the lattice parameters of
Table 2.5.2 is given in Table 2.5.3 for different wave-
in
lengths.
TABLE
Correction
2.5.3. Corrections
Thermal-expansion Correction
This correction can be calculated from the roomtemperature coefficient of linear thermal expansion,
<x= [A#/C]/a using the formula
Term
2.5.3
6
for Refraction a{\-n) (10~
A)
2.5.3.1.
Aluminium
a 2 = 1 +afl 1 (r2 -7 1 )
,
Silicon
lattice
Lead
nitrate
Diamond
CmKol
NLfoc CoKol
Fetfa
Crtfa
7-2
33-7
39-0
45-4
53-2
74-4
8-6
40-3
46-7
54-4
63-7
89-1
33-4 157-0 182-0 212-0 248-0 347-0
Tungsten
parameters at temperatures 7\ and T2 respectively, provided that 7\, T2 are

not far from room temperature. For most solids a
varies with T, not necessarily linearly (see Section 2.6).
where a 1 and a 2 are the
Mofo
Substance
21-1
8-5
991 1150
401 46-5
134-0 157-0 219-0

54-1
63-4
88-6
2.5.3.2. Refraction Correction
The
refraction of X-rays in a solid results
change in A and hence in

change in the spacing.
8.
This correction has to be subtracted
from a
calculate observed diffraction angles
This causes an apparent
(real) lattice
123
parameters.
if one wants to
from corrected
2.5.
References
[3]
Afanas'eva, N. A., Kamentsev, I. E., and FrankKamenetskii, V. A. Kristallografiya, 4, 382, 1959.

Bergen, H. van. Ann. Phys., Lpz., (5), 39, 553, 1941.
Bradley, A. J., and Jay, A. H. Proc. Phys. Soc, 45,
[4]
Cohen, M. U.
[5]
Figgins, B. F., Jones, G. O., and Riley, D. P. Phil.
Nix, F. C, and MacNair, D. Phys. Rev., 61, 74, 1942.

Parrish, W. "Results of the I. U.Cr. precision latticeparameter project," Acta Cryst., 13, 838, 1960.
[18] Siegbahn, M.
Spektroskopie der Rontgenstrahlen,
p. 42 (Springer, Berlin, 1931).
[19] Skinner, B. J. Amer. Min., 42, 39, 1957.
[20] Smakula, A., and Kalnajs, J. Phys. Rev., 99, 1737,
[6]
Mag., (8) 1, 747, 1956.

Hidnert, P., and Sweeney, W. T.
[21]
[1]
[2]
507, 1933.
Z Kristallogr., (A), 94, 306,
1936.
[16]
[17]
1955.
Sci.
Pap. U.S. Bur.
Straumanis, M.
E.,
and Aka, E. Z.
Stand., 20, 483, 1925.

[7] Ievins, A., and Straumanis,
[22]
[8]
Metals, 88, 287, 1959-60.

[23] Straumanis, M. E., and Ejima, T.
M. E. Z. phys. Chem.,
B, 33, 265; 34,402, 1936.
Jette, E. R., and Foote, F. J. chem. Phys., 3, 605,
1935.
Keith, H. D. Proc. Phys. Soc, B, 63, 208, 1034, 1950;

Amer. Min., 40, 530, 1955.
[10] Lipson, H. S., and Rogers, L. E. R. Phil. Mag., (7),
[24]
S.,
[25]
and Wilson, A.
Lonsdale, K.
J.
C.
/. Sci. Instr., 18,
[27]
Lu,
S. S.,
Phil.
Trans. Roy.
Soc, A 240, 219,
[28]
and Chang, Y.
L.
Proc. Phys. Soc, 53,
[29]
Miller, P. H., and
[30]
DuMond,
J.
W. M.
Phys. Rev.,
/.
Inst.
/.
chem. Phys.,
E.,
and
Ievins, A.
Kristallogr.,
Ibid., 109, 728, 1938.
Thewlis,
J.,
and Davey, A. R.
Phil.
Mag.,
(8), 1,
Vegard,
L.,
Minor, J. E., and Lingafelter, E. C.

Chem. Soc, 71, 1145, 1949.
and Roer, K.
J.
Avhand. Norske Vid.
Oslo, Mat. Nat. kl. no. 17, 1941.
Weyerer, H.
angew. Phys., 8, 297, 1956.
Wilson, A. J. C. Proc. Camb. Phil. Soc, 36, 485,
1940.
[31]
J.
Idem. Proc. Phys. Soc, 53, 235, 1941; 54, 487, 1942.
[32] Wilson, A. J. C, and Lipson, H. S. Ibid., 53, 245,
57, 198, 1940.

[15]
and Cheng, C. H.
Idem. Z. Phys., 98, 461, 1936.
Akad.
517, 1941.
[14]
E.,
409, 1956.
1946.
[13]
Straumanis, M.
[26] Idem.
144, 1941.
[12]
Straumanis, M.
94, 40, 1936.
35, 544, 1944.
H.
Appl. Phys.,
32, 629, 1960.
[9]
[11] Lipson,
/.
23, 330, 1952.
Amer.
1941.
124
Thermal Expansion
2.6.
in Relation to Structure
(h)
2.6.1. Introduction
Crystal-structure determination includes a careful

measurement of unit cell parameters, usually at room
sharp
As an
a.10 6
[5] [19]
in [3]).
is
given in, for example,
[1]
[2]
(/)
for cubic structures the thermal-expansion coefficient may sometimes be negative ([7] and
Table 2.6). In molecular structures a negative expan[4] [14].
Even
sion coefficient
(a)
(b)
may
(the alloy Invar
36
40
its
<1
12
6-0
the value of a for 36
80
50
9-7
Ni
is
ex-
20)
12-5
steel is
The spacings and expansion coefficients are both,

of course, seriously affected by strain in a metal or
alloy, and near to the melting point a rise in the
number of vacant sites may cause a change of
slope of the expansion-coefficient curve.
Records of the temperature vs lattice-constant
curves of many binary alloys (also of borides,
carbides, etc.) are given by Pearson [3].
The theory of the relationship between crystal

thermodynamics and thermal expansion for simple
isotropic substances
30
19-5
13
~9xl0- 6
For the detection of second-order transformations

and of the crystal directions principally concerned
and many graphs
36% Ni
20
10
..
At 500
electronic transitions, etc.
[20] [23] [24]
for
perhaps that of the nickel

temperatures, a has a
room
(all at
indication of interatomic and intermolecular
in such transformations (see, for example,
minimum
%Ni..
forces and their variations with direction, temperature, impurity, vacant sites, spin orientations,
(b)
is
which, at
well-known for the extremely low value of

pansion coefficient).
should be determined whenever possible.

Thermal-expansion coefficients are also useful
(a)
example
striking
steels, for
more fundamental quantity would be

the unit-cell size either for an unperturbed state of
absolute rest, or at 0 K. Neither of these arc, in fact,
attainable, and therefore linear thermal-expansion
coefficients (a) and their variation with temperature
temperatures.
The thermal-expansion coefficient of an alloy cannot be predicted from its constitution. The most
The expansion of a solid solution may be greater

than that of either pure component [17].
2.6.3. Relation of
be due to
Thermal Expansion to Texture,
Impurities, Transformations, etc.
methods measure the thermal-expancell. These may differ

from the coefficients measured by macromethods,
a Poisson contraction resulting from a relatively

large expansion in an orthogonal direction;
(a) Diffraction
sion coefficients of the unit
a change of molecular orientation.
even when single crystals are used for the
latter,
unless the single crystals are perfect in texture

2.6.2. Relation
Type
(a)
(b)
of Thermal Expansion to Structure
(see Table 2.6
and
(see,
In layer-type structures there is usually a

expansion normal to the layer.
The expansion along the
directions of
(b)
maximum
H-bonds
(c)
Expansion is relatively large when only van der

Waals forces are present, or along directions where
these form the links between molecules.
bonds permit only a very small expansion

diamond, or within the layer plane of graphite). For (c) and (d) see Section 2.6.4.
(/)
Compounds
(a)
polymorphs of the same substance

have very different coefficients.
Covalent Bonds. A measure is given by diamond,

where at room temperatures the expansion corresponds to an increase of 0-00015 A in the C
graphite [0001]).
bond distance of 1-5445
For many f.c.c, b.c.c. elements and binary compounds there is an empirical relationship between
the thermal-expansion coefficient and the melting
point [10]; and this is true also for homologous
series of organic compounds.
(g) Different
Second-order transformations normally cause a

discontinuous change in thermal-expansion coefficient, but changes due to texture variation may be
superimposed [23].
Comparison of Thermal Expansion of Covalent

and van der Waals Bond Lengths in Molecular
Expansion is greater for crystals with small molecules than for their larger homologues, (e.g. benzene
cf.
amounts
2.6.4.
(e.g.
naphthalene, anthracene,
small
affect the
is
(d) Covalent
(e)
[11]).
of impurity may
expansion coefficient and its
variation with temperature (Table 2.6 and [9] [22]).
Exceedingly
markedly
relatively small.
(c)
however,
[19])
over a temperature
range of 100 C.
(b)
Van der Waals Bonds. The increase in the normal

per
varies from 0-0095
distance of 3-4-3-7
100 C along [0001] in graphite to 0-065
per
100 C normal to the layer plane (001) in C 6 (CH 3) 6
may
A
A

125
2.6.
THERMAL EXPANSION
IN
TABLE
RELATION TO STRUCTURE
2.6
Linear Coefficients of Thermal Expansion for Various Crystalline Substances,

amplitude. For references published before 1959 see
Substance
Diamond
Crystal
Temperature
information
range (C)
f.c.c.
with atoms at
0,0,0;i,i,i.
[19].
w2
is
the
mean
Other data are given in
-79
23
55
55
78
[1].
Comments and
a.10 6
-188
-79
square vibration
references
diamond
0-18
a varies with the
0-58
perfection (industrial or gem).
diamond a
a small negative
1-17
For
1-45
may have
600
900
4-0
value near 0
4-8
At20C:(w 2)*=0-02A
industrial
Tungsten
b.c.c.
20
4-6
At20C:(t?)*=0-085A
Copper
f.c.c.
20
16-7
At20C:(w 1)*=0-145A
Calcium
f.c.c.
371
22-3
[6]
603
33-6
b.c.c.
26
467
At20C:(i?)*=0-28A[21]
Lead
f.c.c.
320
Sodium
b.c.c.
100
Silicon
diamond-type
10
50
4-15
diamond-type
10
50
(a) 6-65
(a)
(b) 5-92
(b)
Germanium
a Tin
j8
diamond-type
Tin
tetragonal b.c.
-130
22
14
48
28-15+0-0236? (C)
At20C: (i?)*=0-50A
71
4-7
32-24
16-77
99-97% pure
99-99% pure [22]

99-999% pure
[3]
[3] gives
h.c.p.
c/a 1-856
Cadmium
h.c.p.
-188
13
64
20
250
15
53
-190
18
18-5
48-2
h.c.p.
15
35
24-3
27-1
Cl 2
..
A
A
009
In (001): 0-07
c: 0-10
A
A
0-12
In (001): 0-08
A
A
0-13
Along
c/a 1-623
Pa3
-268-8
-253
PA/ncm
-195-6
-114-8
126
200
aa
66-4
ac
35-7
C 0C
In (001): 0-05
Along c: 0-09
Along
c/a 1-886
Magnesium
further references
-183
0T2)*at
Zinc
[22]
[8]
[15]
c:
0-08
0-15
0-18
A
A
A
A
A
A
0-125
2.6.
THERMAL EXPANSION
TABLE
IN
2.6 (continued)
Linear Coefficients of Thermal Expansion for Various Crystalline Substances,

Substance
jS
Pu
Crystal
Temperature
information
range (C)
monoclinic
133 ..
Pu
f.c.c.
tetragonal b.c.
S'Pu
319
465
Pu
b.c.c.
hexagonal
Graphite
layer-type
BN
hexagonal
layer-type
diamond-type
SiC
490
84
<x
21
<x
22 is
a 33
[26]
451
-8-6
[13]
..
485
305
[13]
36-5
550
25
100 ..
.
nearly normal to (101)
along b
Very
sensitive
to pre-
sence of impurities
[13]
28-2
800
-2-9;
20; 770
.
is
-1-8;
20; 400
.
[1].
references
a 22
202
vibration
Comments and
..
..
mean square
the
-659
e
is
a.10 6
Z=34
[19].
t/
40-5
800
100
6-58
900
4-74
PbS
cubic
40
19-9
At20C:0?)*=0-17A
NaCl
cubic
25
40-5
At20C:(ZT2)*=0-24A
Quartz
trigonal
0...
14-2
118
8-7
Ice
(H 20)
hexagonal
c/a=l-63
bulk measure
-200 ...
-250
55-5+0-248/ (C)
56-5+0-250/ (C)
-6-1
[16]
X-ray data
-10... -20
-60
-80
-140
-120.
-160
-140.
-180
-160.
.
12
32
63
35
25
23
14
22
[18]
at
Anomaly reported
-100 to -130 C
85
-5<
-183 ...
20
64
47
van der Waals forces
tetragonal
-183 ...
20
76
24
weak
tetragonal
-183 ...
20
CaC0 3 (calcite)
trigonal
Ci6H 16
tetragonal
46
40
>
in aa
25-1
Di-p-xylylene
CO(NH 2) 2
H bonds
Urea
C(CH 2 OH) 4
Pentaerythritol
131
127
Strong H bonds in (001)

van der Waals along [001]
2.6.
THERMAL EXPANSION
TABLE
IN RELATION TO
STRUCTURE
2.6 {continued)
Linear Coefficients of Thermal Expansion for Various Crystalline Substances, w 2

Substance
C 6 (CH 3) 6
Crystal
Temperature
information
range (C)
triclinic
-70.
the
layer-type
a max
a min
mean
square vibration
[1].
Comments and
a.10 6
20
[19].
is
references
van der Waals forces

a m ax is nearly normal to the
209
48; 30
molecular planes [25]
1.3.5-C 6
3 C1 3 ..
orthorhombic
-180
20
Molecular planes near (001)
58
46
106
p-nitro-aniline
monoclinic
-183
C 6H 6
a xl
150
a ll
a 22
a 33
13
layer-type
is
nearly normal to the
layers of molecules
7-5
24
<x
22 is
along b [12] [25]
orthorhombic
-193
-3
119
106
221
Molecules near to (001)
monoclinic
-193
17
225
40
Molecules most nearly
Benzene
Naphthalene
parallel to (100)
115
monoclinic
-193
17
130
30
80
monoclinic
-193
20
88
78
16
monoclinic
-183
13
Anthracene
C 12 N 2 H 8
a-phenazine
(COOH) 2 .2H 2
Oxalic acid
dihydrate
(COOD) 2 .2D 2
monoclinic
monoclinic
Metal-free
-183
17.
13
a max
a min
-1
a max
a mln
-6
amax
57
the
is
C 10 H 8
approximately along
CC bond
55
flat molecules
mutually inclined
Very large
78
a max
a min
185
phthalocyanine
Isostructural with
18
aa
Rochelle
salt (1)
(2)
orthorhombic
pseudoorthorhombic
-60
-30
-30
25
60
50
40
82
60
j3=90 3-75'
(3)
orthorhombic
25
128
30
30
1
41
[23]
42
Indeterminate in
ferroelectric phase
53
58
54
54
2.6.
THERMAL EXPANSION
IN
2.6.5. Measurement of Thermal-expansion Coefficients

by Diffraction Methods
The normal requirements for accurate spacing

measurements involve absolute measurements. By
contrast, measurements of thermal-expansion coefficients require accurate relative measurements; accuracy of the absolute measurement of length is of
(b)
In photographic techniques the recordings at different temperatures should be made on a single

film, care being taken that the film temperature
does not vary.
(c)
In counter techniques the expansion of different

parts of the apparatus must be checked.
(d)
The
secondary importance. The following points should

be considered
(a)
random
[2]
Krishnan, R. S. Progress in Crystal Physics, Vol. I,

Chap. I (Viswanathan, Bangalore, 1958).
Nye, J. F. Physical Properties of Crystals. (Clarendon
[4]
Ellinger, F. H. Trans. A.I.M.E., 206, 1256, 1956.
[14]
Gruneisen, E. Handb. d.Physik (Ed. Geiger, H.,and

Scheel, K.). Vol. 10, p. 1 (Springer, Berlin, 1926).
[15]
Hawes,
[16]
[17]
Special
Belov, K.
[6]
(trans, of Kristallografiya), 3, 421, 1959.

Bernstein, B. T., and Smith, J. F. Acta Cryst., 12,
[7]
Blackman, M.
Donohue,
and Trueblood, K. N.
Abh. Phys.-Tech.
Techn. Res., Finland,
and Post, B. Acta
Cryst., 13, 503, 1960.
Lonsdale, K. Z.
[20]
Rosen,
S.,
Kristallogr., 112, 188, 1959.
C, Banks,
E.,
and Post, B. Acta
A. R., and Wilson, A.

Soc, 53, 658, 1941.
[21] Stokes,
Cryst., 9,
Straumanis, M.
E.,
J.
and Aka, E. Z.
C.
Proc. Phys.
/.
Appl. Phys.,
23, 330, 1952.

[23]
[24]
[25]
Cryst., 4, 75, 1951.

J.,
Wiss.
Inst.
LaPlaca,
[22]
[12]
Kantola, M. Publ. State
[19]
3, 831, 1958.
[11]
[9]
[10]
S.
475, 477, 1956.
419, 1959.
Bolz, L. H., Boyd, M. E., Mauer, F. A., and

Peiser, H. S. Acta Cryst., 12, 247, 1959.
Busk, R. S. /. Metals N. Y., 4, 207, 1952.
Cartz, L. Proc. Phys. Soc, B68, 957, 1955.
Connell, L. F., Jr., and Martin, H. C, Jr. Acta
Jakob, M., and Erk,
[18]
and Zalesski, A. V. Crystallography,
[5]
[8]
Cryst.,
3, 1947.
1949).
Mag.,
and Cheesman, G. H. Acta
Reichsanst., 12, 302, 1929.
London, 1958).
Wooster, W. A. A Textbook on Crystal Physics
(Cambridge University Press, Cambridge, repr.
Phil.
L. L.,
12, 477, 1959.
Pearson, W. B. A Handbook of Lattice Spacings and

Structures of Metals and Alloys. (Pergamon Press,
P.,
error.
[13]
Press, Oxford, 1957).

[3]
three principal sections),
References
General
[1]
its
using hkl reflections distributed as uniformly as

possible around and near to the surface of the
limiting sphere, is a good method, both of getting
accurate data and of determining the probable
Large-angle reflections should be used, but extrapolation methods of correcting for eccentricity,
etc., are not required, provided that the crystal
does not move when the temperature is changed.
2.6.
plotting of the complete thermal-expansion
surface (or at least of
Ibid., 9, 960,
[26]
1956.
Ubbelohde, A. R., and Woodward, I. Proc. Roy.

Soc, A, 185, 448, 1946.
Willis, B. T. M., and Rooksby, H. P. Proc Phys.
Soc, B65, 950, 1952.
Woodward, I. Acta Cryst., 11, 441, 1958.

Zachariasen, W. H., and Ellinger, F. H. Ibid., 12,
175, 1959.
129
Section 3
MEASUREMENT AND INTERPRETATION

OF INTENSITIES
PAGE
3.1.
3.2.
X-ray Intensity Measurements (K. Lonsdale and

H. J. Milledge; P. M. de Wolff; W. Parrish)
Absorption
(B.
Koch and
and G. D. Rieck; G.
3.3.
3.4.
C. H.
E.
MacGillavry; H.
C. H.
MacGillavry;
133
J.
Milledge; K. Koopmans
Bacon)
Atomic Scattering Factors (J. A. Ibers; D. H. Templeton;

G. E. Bacon; K. Lonsdale)
Compton Scattering of X-rays
(H. Curien)
157
B. K. Vainshtein;
201
247
3.1.
X-ray Intensity Measurements
In the following sub-sections the photographic and

counter techniques of recording and measuring diffracHere they will be
tion intensities are described.
compared.
Counter techniques use methods involving measurements over a sphere (Vol. II, 4.3.2.2); photographic
briefly
techniques involve plane or cylindrical films with

either a variation of angle between incident beam and
rotation axis, or between the reflected beam and the
normal to the film surface (oblique incidence) or both.
In the counter method, intensity and position of the
line are recorded and measured simultaneously. In the
photographic method they are usually recorded and

measured separately, although by photometric methods
they can be measured together.
The counter technique records diffraction effects
accurately (with proper care) but singly. Photographic
single-crystal techniques provide a comprehensive
record of the diffraction over large and specified
regions of reciprocal space. In favourable cases it is
therefore possible to obtain information by the photographic method in a fraction of the time possible when
counter methods are used; for example (compare

Vol. II, Table 4.1.1):
(a)
Determination of symmetry and space group.
(b)
Observation of diffuse scattering in large regions of
photograph.
In either case, for accurate structure determination,
observations should be made on more than one specimen and an /?ob8=S||F1 |-|F2 ||/S|/ 1> 2 determined
after the separate data have been scaled together (or
the different sets of Fobs should be scaled and refined
,
independently, and the final parameters compared).

Careful observation in favourable cases can give
i?obs=0015 by counter methods, 0-025 by photographic methods, although 0-1 is usual unless special
precautions are taken. There is no point in refining a
structure to
Detection of excessive orientational spread, twinning, and other crystal defects.
(d) In polycrystalline material, detection of preferred

orientation and other large-scale directional effects.
an
i? C aic
value less than R ms [3], although

it may not be impossible to
given sufficient variables
do
so.
Methods other than the normal photographic or

counter techniques, for example the use of sensitized
glass plates which after exposure can be chemically
etched, have hardly received any trial as yet. Kennard
[6] has developed a radioactive tracer method for the
film densities which is a combination
of photographic and ionization methods.
measurement of
3.1.1.1.
reciprocal space.
(c)
window may record a

wide region which is subsequently to be explored in
detail by counter-diffractometer methods. Or a vertical unevenness in a spot which might be missed by
counter integration is revealed by the preliminary
film placed over the counter
3.1.1. Introduction
Systematic Errors
must be taken, using

method, to avoid systematic errors. These could
occur, for example
The
greatest possible care
either
correction for absorption due to

shape and different paths of X-ray beam
(Vol. II, 5.3); or for anomalous absorption (3.3.2)
or the presence of trace impurity (3.2.4).
By inadequate
(a)
crystal
Photographic methods are also particularly suited

and to observation of back-reflection phenomena. They can be used to record simultaneously or separately effects from a wide range of
to microtechniques
(b)
wavelengths.
On the other hand, counter techniques provide:
(a)
A most accurate set
(c)
of intensity measurements for
The
best method, in general, of observing changes
(e.g.
with temperature, pressure, magnetic condigroups of
tion, etc.) in single reflections or small

reflections.
(c)
Accurate observations of
line
profile
and
By variation of incident beam or background,

when reflections are measured or recorded piecemeal, as in the counter technique, or in various
layers by the Weissenberg method, or in various
ranges of the oscillation method. It is easier to
detect systematic errors of this sort by the oscillation method, because the regions of reciprocal
space covered in successive photographs are so
structure determination or quantitative analysis.

(b)
extinction (Vol. II, 5.4), which may sometimes

be reduced by pre-treatment of the specimen.
By
line
interlocked that scaling errors are less easily made.
breadth.
(d) Less
difficulty
crystal
in
intensities
measuring integrated
(see
sections of the diffracted
when they
(e)
(d)
single-
when the crossbeams are not uniform or
3.1.2.4)
incorrect allowance for oblique incidence, spot

No such errors are possible using
counter techniques, provided that the counter is

accurately aligned. For correction of these errors
differ in area.
Less background due to white radiation
By
length, etc.
in photographic
methods, see 3.1.2.5 and
3.1.2.6.3.
(3.1.3.7).
For many purposes a combination of the two

methods is ideal, e.g. a cylindrical film or a small plane
133
powder
diagrams: by preferred orientation.
(e)
In
(/)
By twinning.
3.1.
X-RAY INTENSITY MEASUREMENTS
The scaling together of reflections due to different

wavelengths is more difficult with some counter
than with most photographic techniques, because
of variable sensitivity of counter fillings and other
(g)
Means of measuring either line profiles or integrated intensities, as required (see 3.1.2.4). Accu-
(e)
rate measurement of relative intensities under

varying geometrical conditions (see 3.1.2.5 and
factors described in 3.1.3.1.

3.1.1.2.
3.1.2.6).
(/)
Absolute Intensity Measurement
For accurate structure determination, or for
deter-
mination of absorption, extinction, atomic scattering

factors, dispersion, it is necessary to know the ratio of
the transmitted- or diffracted-beam to the incidentbeam intensity. This can be done with varying degrees
of accuracy:
(a)
By monitoring the incident beam, using

(i) a second window on the X-ray tube,
(ii)
(iii)
(iv)
(b)
(g)
beam relative
Increased X-ray tube efficiency (see 2.2.1).
(b)
Decreased background and fog (see 3.1.2.5
By use of a secondary standard.

By scaling together of observed and
Ii\F\ data, care
by
(e)
By
(e)
(J)
By
calculated
extinction.
and
By
using statistical methods
[8] [7] (see
also Vol.
effects is to obtain the required

information as accurately as possible and in the
minimum time, using a specimen of any given shape
or texture. The essential requirements, therefore, are:
(b)
(c)
(/)
tion, or
of
satellite
is
is
effectively extends the
range of
Evacuation of camera; although
some
soft fluorescent radiation
this
is
may mean
not absorbed.
problem and
3.1.2.2.
with
or unwanted radiadue only to
particular wavelengths (see 3.1.2.3).
134
be attained by:
Camera
(b)
Increase of crystal-film distance, but at the expense

of exposure time and usually of contrast.
(c)
Use of fine-grained and single-coated

is
intensities
Maximum Resolution may
(a)
maximum
3.1.2.2).
means of estimating
Film pack, which
that
blackening for given exposure, consistent with linearity of effective density and with
Minimum amount
Large-grained films. These limit the attainable

resolution but markedly decrease exposure time.
X-ray films are usually desensitized to light, but
the effect of this desensitization is lowered or lost
at low temperature [9].
linearity (see 3.1.2.5).
Maximum
blackening (see
(d)
(h)
(see Vol. II, Section 4.1.1).
maximum resolution (see 3.1.2.1).

Maximum resolution consistent
may
original negative.
X-ray diffraction
tailored to suit
usual but
and of precise
waveThese are practically never allowable

where intensity measurements or spot shapes are
required, but are permissible when only the
presence or absence of reflections is to be observed.
It is also possible to improve contrast by printing;
an electronic dodger is commercially available that
can reproduce and enhance every detail of the
Photographic Methods
The aim of photographic methods of measuring
specimen
now
lengths.
Section 7.2.1).
Geometry of camera
is
(g) Intensifying screens to suit the diffracted
3.1.2.
(a)
This
very necessary for best work.

Intensification
during processing may increase contrast at the
expense of linearity.
scaling to eliminate negative regions of a three-
true.
II,
film.
(/) Correct processing. The use of fresh developer

particularly desirable. Control of temperature
calcu-
dimensional Patterson or Fourier synthesis, though

this method must be used with great caution, since
it tacitly .assumes that the electron density does
fall to zero in some regions, and this may not be
(g)
Double-coated
measurement.
to the
being taken to omit values affected
scaling together of limited observed

lated data.
(a)).
time.
calculable.
(c)
(see
and monochromators (see 2.3), which can

improve contrast but often only at the expense of
lead to difficulties of resolution
small or
is
intensities
(a)
(d)
transmitted
absolute
3.1.2.1. Maximum Effective Blackening and Contrast for a given exposure. This is attainable using:
a secondary diffraction pattern either on the

same film or on a separate film.
beams where absorption
obtaining
Vol., Section 2.5).
(c) Filters
By monitoring the
of
Accurate measurement of crystal parameters under

varying conditions (see Vol. II, Section 4.7, and this
an independent measurement using a very short

time of exposure and/or a known quantity
of absorbing material in the path of the beam,
an ionization method,
diffracted
(d)
Means
3.1.1.2).
design.
incompatible with 3.1.2.1.
id)
Reduction of specimen
size.
(e)
Focusing methods (see
2.3).
film; but this
3.1.
3.1.2.3.
Minimization of
Unwanted Radiations
3.1.2.4.
Means of Measuring Line
Profiles or
and Isolation of one or more Desired Wavelengths

The emulsions on photographic films are, in general,
Integrated Intensities
approximately equally sensitive* to all wavelengths

used in diffraction techniques [4]. It is possible to incorporate substances which intensify effects due to certain
regions of the spectra, but this is seldom done because
of the consequent loss of linearity. It is more usual
to use single or double filters or monochromators
row
diffraction lines are produced which can be

measured by the usual photometric methods (Section
(2.3).
photometers have been designed. Integrating Weissenberg and precession equipment is available, and photometers specially suitable for these techniques. Visual
estimates of integrated spot intensities using sets of
intensity scales (see 3.1.2.6) are widely made.
In the powder and divergent-beam techniques, nar-
3.1.2.6).
Most
single-crystal diffraction techniques produce

and in these cases it is the integrated intensity
of the whole spot that is required. Special integrating
spots,
For certain purposes, however, a range of wavelengths or the use of several wavelengths
The most outstanding case

method; but
this will
intensities in the
is,
is
desirable.
of course, the Laue
not be discussed here, since
Laue diagram, though giving sym-
metry very directly, otherwise bear only a rather

complex relation to the structure of the crystal.
3.1.2.5.
Accurate Measurement of Relative
Intensities
(a)
(b)
Where a wide range of
intensities is involved,
the Kfi intensities, carefully scaled, provide extra
information.
crystal
Where anomalous
(a)
In attempting to measure the diffraction from a

by photographic techniques, the following
difficulties are encountered
scattering occurs, as in the case
handedness in an optically active crystal

(c)
The Renninger
The problem of allowance for background.
may be enhanced
of CuAjS radiation and a non-centrosymmetric

crystal containing Ni (for example), the relative
intensities of the Ka. and Kfi hkl and hkl diffraction
spots may provide phase angles or lead to a determination of space group or the detection of
multiple reflection for one wavelength only. This
technique has been extended to the use of the Laue
method for the determination of left- or right-
(i)
(i)
of the continuous spectrum.

techniques partly or totally
eliminate superposition of background due to
overlap of spectral streaks, except for different
orders from the same set of planes,
Diffraction
Moving-film
(ii)
[14].
effect (indirect reflection apparently
due to diffraction from hkl which may itself give

only weak or even zero intensity) may be detected
(ii)
This
by:
Compton scattering; and diffuse scattering

due to aperiodicity in the crystal. Effect of
temperature movement can be markedly
reduced if the crystal is kept at a low temperature
(relative
to
its
melting point) during
exposure,
by the anomalous spot shape

by the fact that it rarely occurs for both a and j8
(iii)
Fluorescence
radiation.
Choose
primary
radiation of suitable wavelength to avoid this

as much as possible. If strong fluorescence
radiation together.
cannot be avoided, a thin metal
foil (Ni or
Al) before the film will in general absorb
the fluorescence radiation more than the
coherently-scattered beam.
Any
hkl diffraction spots of normal appearance

and of normal a//? intensity ratio must not be
assumed to be due to a Renninger effect, however
inconvenient they may be in regard to space-group
determination. In case of real doubt, a useful check
is slightly to mis-set the equi-inclination angle of a
Weissenberg photograph, or for a zero layer line
to make an anti-equi-inclination diagram.
(iv)
Absorption edges characteristic of the elements in the photographic emulsion may
when strong high-order

accompany weak low-order spectra
from the same (hkl) planes,
cause
difficulties
spectra
(background) diffraction studies are often

undertaken with white + characteristic radiation,
the white radiation giving the precise orientation of
the crystal of which the diffuse pattern is being
studied. This is especially the case where precise
intensity measurements are not required.
(d) Diffuse
(e)
(v)
Films kept for a long time unexposed, or

exposed but unprocessed, develop a back-
ground fog which tends to falsify relative

can be detected by measurement on an unexposed portion of the developed
film and comparison with a new film. Old
films should not be used for accurate intensity
intensities; this
In special cases relative intensities of diffraction

spots due to two or more wavelengths can be used
to measure the size of inclusions in a matrix (see
Section 3.2.4.2), or to detect the presence of a
particular impurity [10].
wor
'
(continued on page 140)
There are discontinuous changes in sensitivity at wavelengths

corresponding to absorption edges of elements in the emulsion
(see 3.1.2.5 (a)).
135
3.1.
TABLE
The combined function -
2Lp
>^
(see text, p. 140) to correct for spot-size
The Combi
and Lorentz-polarization factors on equi-inclinat
0-15
0-20
0-25
0-30
0-3^
0389
0461
0532
0606
0681
075
0642
0714
0789
0864
0942
102
0898
0972
1048
1126
1207
129
1086
1159
1234
1311
1392
1476
156
0-00
0-05
0250
0502
0320
10
0571
15
0756
0826
20
1015
05
3.1.2.5.
0-10
25
1279
1351
1425
1502
1582
1665
1752
184
30
1551
1623
1698
1777
1859
1945
2035
212
35
1832
1904
1981
2061
2146
2235
2328
242
40
2122
2196
2274
2356
2443
2535
2632
273
45
2425
2500
2579
2664
2753
2848
2948
305
50
2742
2818
2898
2985
3077
3175
3279
339
55
3073
3233
3322
3417
3518
3626
374
60
3422
3150
3500
3585
3676
3773
3878
3989
410
65
3789
3869
3955
4048
4148
4256
4371
449
70
4176
4257
4345
4441
4543
4654
4773
489
75
4584
4666
4756
5073
5097
5188
5396
5512
85
5464
5549
5642
5743
5853
5971
5194
5636
6096
532
5014
4854
5288
4959
80
90
5936
6021
6115
6218
6329
6448
6574
670
95
6425
6511
6606
6709
6820
6939
7066
719
1-00
6928
7015
7323
7441
7564
769
7438
7525
7110
7620
7213
1-05
7721
7829
7943
8062
818
1-10
7947
8033
8126
8225
8329
8437
8548
866
1-15
8440
8525
8615
8709
8807
8906
9006
910
1-20
8902
8985
9071
9159
9247
9334
9420
949
1-25
9312
9392
9472
9551
9628
9700
9766
982
1-30
9647
9723
9796
9864
9925
9979
1-0022
1-005
1-35
9882
9954
1-0017
1-0071
1-0115
1-0147
1-0164
1-016
1-40
9994
1-0059
1-0111
1-0150
1-0175
1-0183
1-0171
1-013
1-45
9961
1-0018
1-0059
1-0082
1-0086
1-0068
1-0027
996
1-50
9769
9818
9846
9853
9836
9794
9725
962
1-55
9414
9455
9471
9462
9425
9360
9265
913
1-60
8902
8934
8939
8915
8861
8776
8659
850
1-65
8248
8272
8266
8230
8162
8061
7927
775
7430
7350
7238
7092
691
6179
5204
4173
3057
1698
599
1-70
7475
7491
7477
1-75
6607
6617
6452
5667
5670
6594
5642
6540
1-80
5581
5488
6332
5362
1-85
4668
4631
4565
4467
4336
1-90
3600
2391
4665
3592
3552
3479
3373
3232
2376
2325
2235
2105
1929
1-95
136
576
623
501
397
284
139
3.1.
rection Function
w
2Lp
r-layer-line
(see Fig. 3.1.2)
Weissenberg diagrams. Camera radius: 28-7
mm.
Distance
first
pinhole to crystal: 75-0
mm.
0-55
0-60
0-65
0-70
0-75
1002
1088
1177
1268
1362
1459
1279
1370
1465
1563
1664
1467
1560
1657
1757
1862
1970
1768
2080
1748
1846
1949
2055
2166
2281
2399
0-40
0-45
0837
0918
1105
1377
1654
1191
0-50
1937
2036
2139
2248
2360
2477
2599
2724
2229
2530
2842
3167
2332
2441
2555
2673
2797
2925
3058
2638
2752
2872
2996
3127
3262
3401
2955
3075
3200
3331
3468
3609
3755
3286
3411
3541
3678
3821
3969
4120
3507
3630
3760
3896
4039
4188
4341
4498
3862
4125
4267
4415
4569
4727
4888
-4234
3990
4367
4507
4654
4807
4965
5127
5291
4624
4761
4906
5057
5214
5376
5541
5706
5033
5174
5323
5477
5637
5801
5966
6131
5461
5605
5757
5914
6075
6239
6403
6564
5907
6054
6207
6364
6525
6686
6846
6999
6371
6518
6671
6827
6984
7139
7291
7433
6849
6995
7144
7295
7446
7593
7731
7857
7336
7478
7621
7765
7905
8037
8157
8260
7826
7960
8095
8225
8350
8462
8559
8632
^8309
8432
8552
8666
8768
8855
8920
8958
8771
8879
8980
9071
9145
9200
9227
9221
9199
9286
9362
9423
9463
9478
9461
9406
9571
9632
9677
9703
9703
9672
9605
9495
9474
9868
9896
9905
9890
9844
9763
9641
0065
1-0057
1-0025
9964
9869
9734
9557
9332
0141
1-0094
1-0018
9909
9763
9575
9343
9063
0078
9864
9990
9869
9713
9517
9279
8996
8668
9736
9572
9371
9130
8848
8523
8154
9330
9129
8889
8610
8291
7932
7533
8780
8548
8277
7969
7623
7241
6822
8103
7847
7555
7227
6863
6467
6038
7320
7048
6742
6171
5859
6402
5514
6030
5139
5627
6452
4734
5195
4300
3342
9495
8977
8324
7557
6699
5772
4789
3746
2590
0967
5520
5236
4920
4572
4195
3785
4534
4245
3925
3570
3180
2748
2262
3482
2290
3181
2841
2454
2004
1451
0574
1932
1485
0841
137
3.1.
TABLE
(see
The combined function 2Lp
^\
0-80
text, p. 140) to correct for spot-size
3.1.2.5 {continued).
The Comb
and Lorentz -polarization factors on
equi--inclina
0-85
0-90
0-95
1-00
1-05
M0
M5
1-2
2043
2125
2196
221
2398
2488
2563
26:
2757
2851
295
3118
3216
2930
3298
3482
3584
3667
37:
05
1557
1656
1756
1855
10
1873
1981
2089
2196
15
2194
2309
2425
2540
20
2520
2643
2767
2889
25
2853
2983
3114
3243
1952
2300
2652
3007
3367
30
3193
3331
3468
3603
3732
3851
3954
4036
401
35
3543
3687
3830
3970
4103
4223
4326
4404
441
40
3903
4053
4201
4479
4429
4580
4861
5136
51:
50
4657
4814
4968
5114
5247
5359
4700
5073
5444
48(
4274
4600
4979
4771
45
4345
4726
5493
54<
55
5050
5210
5364
5739
5811
5842
58:
5455
5615
5766
5508
5905
5635
60
6023
6113
6168
6177
6i:
33.
65
5870
6027
6173
6302
6407
6480
6511
6493
64
70
6291
6443
6579
6695
6782
6832
6836
6783
66(
75
6717
6859
6982
7079
7143
7164
7133
7041
681
7446
7789
7480
7787
7466
7395
7259
70.
7731
7614
7428
71'
7539
72:
80
7143
7270
7373
85
7561
7668
7746
90
7963
8096
8051
7948
8339
8044
8387
8091
95
8395
8356
8262
8105
7779
7880
7584
72
1-00
8677
8684
8647
8557
8408
8194
7911
7557
7i:
1-05
8961
8921
8832
8686
7861
7452
69'
MO
M5
9083
8937
8731
8479
8462
8204
9176
8127
7727
7266
67<
9306
8682
8352
7959
7506
6998
64'
9338
9155
9126
8949
1-20
8858
8530
8143
7697
7198
6650
60(
6806
6229
56:
6338
5740
5191
4589
51
39!
1-25
9257
8986
8658
8274
7835
7344
1-30
9057
8728
8347
8734
8355
7928
7914
7454
7431
1-35
6938
6904
6385
1-40
8293
7873
7409
6906
6367
5798
5800
5203
1-45
7743
7291
6803
6280
5728
5151
4553
3937
33(
1-50
7096
6625
6121
5589
5031
4452
3853
3232
25'
1-55
5888
5377
4842
n:
4045
2246
1501
4247
3732
3187
3702
2888
1950
2450
4581
4284
3482
2602
3095
5093
1-65
6370
5579
4734
1-70
3836
3341
2808
2220
1528
1-75
2861
2327
1706
0844
1-80
1689
0899
1-60
138
1134
45(
3.1.
rection Function
w
(see Fig. 3.1.2)
2Lp
mm.
mm.
r-layer-line
Weissenberg diagrams. Camera radius: 28-7
-25
1-30
1-35
1-40
1-45
1-50
1-55
1-60
1-65
1-70
284
654
2292
2269
2213
2120
1991
1831
1643
1436
1217
2659
2629
2561
2454
2306
2123
1909
1673
1424
021
3021
2983
2903
2779
2611
2403
2163
1898
1620
386
748
3380
3331
3236
3093
2903
2402
2109
1801
3732
3671
3559
3395
3181
2670
2921
2625
2302
1965
105
456
799
4078
4000
3869
3682
3441
3154
2828
2476
2110
4414
4318
4163
3950
3682
3009
2628
2234
4738
4620
4439
4197
3898
3364
3550
3165
2755
2333
131
5048
4903
4693
4420
4089
3709
3293
2406
448
5339
5164
4921
4614
4249
3837
3391
2854
2925
748
5607
5398
5120
4777
4377
3932
3456
2964
2466
023
270
481
651
5848
5284
4903
4468
3991
3487
2970
2451
6054
6222
5600
5766
5409
4990
4012
3481
2941
2403
5891
5492
5034
3993
3438
2877
2321
6345
5968
5527
5032
4520
4529
4495
3932
3355
2777
2204
771
6418
5995
5512
4981
4415
3829
3234
2640
2050
837
842
6434
5966
5445
4881
3683
3072
2464
6390
5322
1857
1619
5145
3899
3494
3263
2248
6283
4730
4530
2871
781
5880
5734
4289
4117
2628
1990
1324
651
6112
5529
4914
4280
3636
2990
2342
1680
0939
450
5875
5265
2008
1299
0232
4945
3329
2978
2673
5577
2309
1611
0775
844
445
988
5218
4572
4630
4296
3914
3982
181
1886
1109
4149
3486
3250
2814
2579
4804
2124
1373
4339
3679
3010
2323
1586
0613
478
920
3825
3161
2478
1750
0850
3263
2586
1865
0996
311
2641
1926
1068
641
1929
1065
868
0973
3639
Distance
139
first
pinhole to crystal: 75-0
2451
3.1.
Allowance for background

(a) in visual
on the
(b) in
made
is
estimation by reproducing the background
intensity scale,
and
photometry by measuring the background on
either side of the diffraction line or spot.
Background on Weissenberg photographs may be

cut down by making the screen separation as narrow
as possible.
Unevenness of intensity
(b)
(i)
in spot.
This
Lack of homogeneity of the
may be due to
focal spot in the
X-ray tube,
(ii)
spots, which may be an indication of

absorption which shields the central part of
the crystal; or of a difference of texture
between the (mosaic) surface and the more
perfect centre. In either case an accurate estimation of relative intensities for structuredetermination purposes is not possible,
Hollow
(iii)
Spread of orientation of domains,
(iv)
Partial resolution of the a x a 2 doublet.

difficulty
may
One advantage of
be avoided by use of the
the visual
/?
Fig. 3.1.2. Chart of (W/2Lp) for equi-inclination Weissenberg photographs and given instrumental constants
(see Table 3.1.2.5). Extended spots only.
This
mosaic blocks.
spot.
intensities by comparison, especially with a scale made

from the same crystal, is that the eye tends to average
over the whole area of a small spot. With photometry
(d)
The wide range of intensity to be covered. This

can be overcome by the following
techniques
necessary to use either an integrating photometer

or an integrating-camera device.
(i)
Difference of spot size on higher-layer-line Weissenberg diagrams. This can be such that it is impossible to allow for it, either by visual estimation or
by integrating devices. Formulae to correct for
the effect have been derived. If this correction is to
be applied graphically it is better to combine it
180
1+
$ cos 9
20
477
a(4-c )/ -i} * i
{2^/(4- W+iJJJ
2
for the equi-inclination case has been evaluated at

intervals of 0-05 r.l.u. in
both
(iii)
Table 5.2.5E.
(W<1)
[4].
succession of carefully monitored and controlled X-ray exposures of varying time can
same purpose.
combination of two or
often used.
The
is
Union of Crystallography
all of these methods is

In every case the most careful scaling is
needed to avoid systematic errors. Care should be
taken that the strongest spots or lines are brought
within the range of linearity of the film used (see
from the computed values.

for normal-beam upper-layer
The values of
Weissenberg photographs are discussed by Phillips
_1
values for this case are given in
[13] and the (Lp)
II,
and
intensities covered can sometimes be enlarged by the use of a range of

X-ray films of differing characteristics. These
have been studied by the Commission on
Crystallographic Apparatus of the Inter-
serve the
inverse interpolation
Vol.
thickness,
The range of
national
and and these

The positions of
values are given in Table 3.1.2.5.

the contours of the combined function W/2Lp at
intervals of 0-05 can be obtained graphically by
upper-level spots
Uniform
are of course essential,

(ii)
films.
close contact to reduce extraneous scattering,
separately (see Fig. 3.1.2).

The combined function*
Multiple-film packs effectively extend the

range of linearity. They require the determination of film-absorption factor or better
(in principle) the use of multiple-intensity
scales to correspond with the pack exactly.
Processing of a film pack must be simultaneous.
For short-wavelength incident beams it may
be necessary to interpose absorbing sheets
between the
with the Lorentz-polarization factor, since the

gradients of the combined function are in general
much lower than those of either function taken
2Lp~l+cos 2
crystals should be
difficulty
it is
(c)
Use of such
avoided.
method of estimating
case of 'contracted'
too complicated for a
*Cf. Vol. II, Table 5.2.5G, which gives (Lp)- J =2^ cos 6/
is defined as (A + AA)/A;
(1+cos 2 20); and Phillips [13] where
can then be expressed in
A being the undistorted spot area.
terms of , f, R u R 2 In Phillips' diagram and in Table 3.1.2.5,
=
the instrumental constants are taken as /?!= camera radius
28-7
and Z? 2 =first-pinhole-to-crystal distance=750 mm.
W
W
simple correction to be applied.

Difference in size of spot can also be caused by
irregular shape of the crystal, or by small deviations of rotation-axis orientation in part of the
mm
140
3.1.
may
(which
Reversal
3.1.2.6).
be
The
"shoulders'.' of a strong
(e)
may produce
peak are required, since hala-
false effects
Unevenness of intensity
be due to
(i)
in
using visible light are not useful here, because the

curve D vs log E has its point of inflection at exceedingly high density values. The sensitivity of a film for
X-rays or electrons is best characterized by the initial
slope of the curve
of this kind.
a powder
line.
This
may
3.1.2.6.2.
on the absorption (Section
are properly allowed for,
if
vs
.f
Photographic Intensity Measurements
made
Photographic intensity measurements are

either visually or using a microdensitometer.
Large particle or grain size. In this case the

effects may be averaged out by rotation of the
specimen, but care should then be taken to see
that the effects of inhomogeneity and of
particle size
(ii)
greatest
occur when accurate measurements of the
difficulties
tion
can
multiple)
disguise the true intensity of a peak.
This method consists of

be measured with a
series of exposure-calibrated blackening marks similar
in shape to the object of measurement, and preferably
(a)
Visual Estimation.
comparing the spot or
3.2.4)
possible,
line to
using the same specimen and incident beam.

Lack of complete similarity and unfavourable background usually cause the error of such measurements to
made
Preferred orientation. This is not usually

eliminated by rotation, since the direction of
orientation may bear a special relationship to
be larger than the optimum contrast threshold of the

2
the latter amounts to
eye. For a spot of area 1
So small a
roughly 1
[2], or 0004 density units.
difference can indeed be detected at small density
values, where the background is not a disturbing
the dimensions of the specimen.
mm
Either of these effects may, of course, be the subject

of the study undertaken rather than a defect to be
eliminated.
factor.
3.1.2.6.
3.1 .2.6. 1
If the blackening is measured

(p) Densitometry.
with a microdensitometer an accuracy of 0-002 density
units up to densities of at least 2 is easily attained.
Higher precision is seldom required, because this value
is nearly always far below the statistical fluctuations
resulting from graininess, not to mention the possible
errors caused by unevenness both of coating and
Photometric Technique
.
Introduction
X-rays and electrons give
blackening of silver
can be measured
accordingly. The blackening of a processed film is
expressed in units of density D, where
halide emulsions,
^=
The
and
rise to
their intensity
processing.
glo(încldent/*^transmitted)
Because of the approximately linear relationship

between density and exposure, indication (or recording) of density is to be preferred to indication of
J refers to the
scanning beam (of ordinary light) of the photometer. Measured densities

must be corrected for fog density (DF ), the density of
the non-exposed part of the developed film, to give the
intensity
effective density
D =D-D F
eff
transparency.
On
microdensitometer records the graininess of

is usually visible to a greater extent than
with emulsions for visible light (the grains are larger,
and moreover they are ionized in clusters around each
absorbed quantum). The resulting statistical fluctuations should be minimized by choosing the width b and
height h of the slit image as large as possible. Their
influence is not entirely similar; the mean amplitude
AZ) of the statistical density fluctuations can be
expressed as
X-ray film
The density may or may not occur as an intermediate result in the measuring process (see Section
3.1.1). In either case its marked dependence on the
aperture of the incident and of the transmitted light
beam (Callier effect) should be kept in mind, especially
if the measurement is essentially a comparison of two
densities [11].
Important features of the photographic process for

strongly ionizing radiations such as X-rays and electrons are:
AD=(Dlhb)KG(b/v)
(a) For a given exposure E=\I(t)dt (I being the

X-ray or electron intensity at time t), the relationship
between D and E does not depend on the function /(/).
For instance, the reciprocity law is valid, and there is
no intermittence
(b)
dDjdE
increasing
is
effect* [11].
E zero and decreases with

depending on emulsion and
.(1)
t For a comparison made this way of various commercially

available X-ray films see [4]. This also contains details of
measurements of some other film characteristics (graininess,
absorption, fog density, linearity of
versus ), and information concerning the rate of increase of Dp with age of film, an
important consideration when regular supplies of fresh film are
not easily obtainable.
The function
vs
is generally linear up
to densities of the order of unity. Therefore the
processing.
* The Reciprocity Law states that for an exposure of given

intensity and duration, the density varies with the product
(intensity x time) and not with the separate factors / and t. This
holds for X-rays within very wide limits.
The absence of any intermittency effect means that the density
produced by an exposure given in a number of discrete instalments is the same as that produced by a continuous exposure
of the same energy. See, however, [1] for limits to this idealization.
positive for
at a rate
logarithmic jE-scale used in light densitometry offers

no advantages for the present purpose. Also the terms
"hardness" and "gamma" current in photography
141
3.1.
where
v is the recording velocity (scanning speed) of

the film and G an instrument function. Hence whereas
AD
a change of h merely reduces

inversely proportional to the square root of h, a change in b has a more
complex
effect.
also affects the average period of the
It
which is independent of h. For small

recording velocities G=l and the record can be considered as the result of folding the "true" density
curve (6=0) with a rectangular function of width b.
High recording velocities have an analogous effect
fluctuations,
which can be interpreted as another folding process,

time with the responsive function (referred to film
distance instead of time) of the instrument.
For an aperiodically damped recording system (time
this
The application of
different layer lines
from
linear, is
with p=bjvt
Values of
given in Table 3.1.2.6A.
.
Powder Diffraction. Here a similar problem occurs

the comparison of different photographic techniques, but the situation is complicated by the fact
that the oblique-incidence factor can hardly be

separated from the Lorentz factor because the integration (if any) is one-dimensional.
Therefore Table 3.1.2.6C is given, listing the func-
make it proportional to the intensity as measured when
for a few values of/? are
the distance between sample
Fluctuations on X-ray Films
Reduction
0-5
0-84
0-74
0-65
0-49
0-35
to
and
the
film or detector
is
(DebyeScherrer camera or diffractometer) has been chosen

because the intensity formulae for it are well established. It should be stressed, however, that the factors
in Table 3.1.2.6A do not take into account polarization, nor do they account for the different ways in
which the absorption by the specimen, and/or the
irradiated volume of the specimen, depend on 6 for
each of the techniques mentioned (compare Section
3.1.2.6A
Values of G(b/v) for a few values of p=b/vt

(See equations 3.1.2.6.2(1) and (2))
G =
by which the density (assumed small) of a

and on a Guinier-type photo-
flat cassette
graph respectively should be multiplied in order to
.(2)
Effect of Recording Velocity on Statistical Density
on a
constant.
TABLE
by the
in
line
.
made
accessible to interpolation
listing of S- values for ^2^2/^1^1=0, and 1.
tions of 8
say,
Table 3.1.2.6B gives numerical values of S (equation (4)) for values of <j> up to 60 and of /z^ up to 1 0.
The comparatively small influence of p 2 d2 though far
[12]
.
of,
straight-
forward.
constant t ) the effect of recording velocity, as expressed in the second factor of equation (1), becomes
G(blv)={2p-3 + (p+3) exp(-/>)P/(2/^
(4) to a comparison
of a rotation photograph is
latter
case
5.1. II).
TABLE
3.1.2.6C
3.1.2.6.3. Oblique Incidence
Oblique-incidence Corrections for Powder
The blackening of a film placed in a parallel beam

of a given intensity depends on the angle < between
the normal to the film plane and the direction of the
Diffraction Intensity
beam.
For not-too-large densities the density may be
supposed to be proportional to the energy absorbed
per
cm
of film. This gives for a double-coated film
in
=(cos 4>)A(<j>)IA{Q)={cos
<f>)S{<j>)
Guinier type
Z>t
(cos 20)- 3 S(26)- 1
{cos(y-2^)}5 (y-2^)- 1
.... (3)
lDdl%
(cos 20)- 1 5(261)-!
{cos(y-29)}S(y-2d)-i
which
A(<f>)={l-exp(-[j. 1 d1 sec
sec
and
d2 the
ju,
(Specimen surface at angle 90 -y with crystal-reflected

incident beam.)
<f>)}
{l+exp[(- n 1 /1 -/i 2 i/2 )

jL4
Flat cassette
[5]
[15]
/y Z>
Measurements
Reduction factor* for
<]}
being the absorption coefficients and dx and

* These reduction factors are given in terms of those of a
Debye-Scherrer camera as unity.
t Here D means density at any given 8 value. The factors
thickness of a single layer of coating and of the
base respectively.
The corresponding formula for integrated intensities
applicable to two-dimensional integration of a spot
given by a narrow beam (such as a diffracted beam
in a Weissenberg camera) is:
$D da/$D
<t>
where da
is
column are applicable to the density in a diffuse pattern.

They are meaningless for peak-density values of sharp lines,
since these are strongly influenced by the geometrical linebroadening, which depends on 9 in a different way for each
in this
technique.
XfDdl
da=A(cl>)[A(0)=S(<f>)
is
the value obtained by integration of the density
as ordinate and the distance / (measured on the

profile with
film) as abscissa. The angle 20 is the average value for the profile,
.(4)
an element of diffraction-spot area.
which
142
is
supposed to be narrow.
3.1.

CO CN ON
O
co no oo
OO
OO
OO
-rt
<
no ON ON no
no ON CN
8S o
no
co ^ NO
O
OO
O
ooo
O Tt
OO
n r- r- n *
Cn >n r~ ON r-H
rCN
(N
CN T> r-~ OO rco

>n r- On
1-H
CN CN
in
CN
*-h
o
-t->
a!
tJ-
OO
Tt-
m
O
CN
n rco in r-~
CN CN CN
OO
On
CN
On tJ- oo ON oo
CN NO ON CN
in
OO
co
OO
ri-H
IN
a.
O
o
C
o
CN
O
^
co On
~H
cn ^ no
o
o
CN
O rO ~h o
rno
(N
cn oo co oo co
co co -<a- ^"
co >n
O
cn
r- On
On
OO
O
ON NO
CN ^cn Tt >r> no
<<*
Tfr
J3
-
i/l
.2
w
<L>
OO
.ti
-3
f
fa
o
'3b
to
CO
co
o Tt
O oo
8 rf
o
^
iy->
NO </-> CN OO CN
CO o r- oo
~* (N
CN
no

T-H 1-H
r- CO NO r- no
rCN "<a- no
-H CN CN CN CN
in r-- no
<N
^t OO i-H a- rCN CN co co co
CO
oo r- cn
^h oo
i CN CN
W) lO CN NO OO
NO ^h vo
ti >n
^f
^
nt
oo
oo CN -h no
cn o t~~- oo
oo On oo >/> <-h
^H CN CO
ON
"H -< -H
>n
co
o
ON NO
NO ON CN
o
co
co co
ON NO
co *T) r- oo On
CN
O
no
^J
r-r^ 1
OO CN
>r
r-- tji
NO
r/i
C3
X)
bfi
>
oo ON
i-H Tf
CN
ti-
3 C
o ca
ea
cs
4)
.3*2
vn n CNJ
CO NO On
a.
OS
NO
PQ
4>
CU
<
H
-t-i
C
> s
ea
<r>
C^
r~-
<n
o
o
11
1-H
CN
(1)
WJ
CN
oo
11
co
Tt CO
NO CN r-- CN
CN
Tf
On CN
Tt- ON co NO
o
8 oo
<n NO in
rt
ON CN Tt NO oo
1 CN CN CN CN
CO
ON
NO ON
ON
sO *- in OO l-H
CN CO co co Tt
NO
>n co
CN CO
ON Tf r^ r-- >n
NO CO On >n
CO n- -<fr n NO
n*
<t
OO -h rf NO OO
^r >n *r> *n *r>
CN CO Tt
<n no r~ oo on
NO
IH
a.
CO
(N
NO
-e-
CN
143
3.1.
and Scintillation Counters
3.1.3. Geiger, Proportional
The purpose of
this section is to
provide details of
the principal detectors, other than photographic,
also
the
list
Volume
will
II,
Section
4).
Only the
last three
TABLE
on
Chamber
counters
relatively
[78].
[7] [10].
insensitive;
As
a timer or dosimeter to control the counting

time of the scaling circuit, which limits the method
As
a feedback device to regulate the intensity,

rates, of
which requires extremely high counting
3.1.3.1
in
X-ray
Historically the oldest of
Seldom now used because

electronic
discrimination
not possible; tricky in operation [80].

Crystal Detectors, such as CdS [23], AgCl [70] [71],
Agl [44], diamond [20] [79] are not yet developed
to be competitive with counter tubes for low
intensities and low energy measurements. Special
applications of CdS: thickness gauging [24], probe
for higher-energy X-rays [5].
Direct Photomultipliers (without scintillation crystal)
using Be-Cu alloy dynodes. Efficiency low for
X-ray crystallographic wavelengths, but used in
spectroscopy for A> 10A
(2) The design and alignment of the X-ray optical

system must be adapted to the special requirements of
counter techniques. This was not at first realized ([35],
cf. [29] [52] [54]). For any given experimental arrangement the measured intensity is determined by the
quantum-counting efficiency of the counter, and the
peak-to-background ratio by the spectral response of
the entire counter-discriminator system.

(3) Technical description of detailed circuitry
outline
measurement
form
in
Fig.
Only those factors

circuits in X-ray
3.1.3.1.
concerned with the use of the

analysis will now be considered.
directly
X-rays
[2] [3] [9] [58].
rather than for intensity
may
be obtained from suppliers listed in the current I.U.

Cryst. Index of Crystallographic Supplies. The basic
circuitry required for the counter method is shown in
Image-intensifier Tubes [66], useful mainly for observation of complete pattern (e.g. Laue pattern)
example
two general ways, both
the order of 5 x 10 5 c/sec, to react with the desired

precision in a sufficiently short time.
Crystallography
Ionization
in
to step-scanning.
(b)
be further described.
Methods, other than Photographic, used
all
(a)
now
used in X-ray crystallography. Table 3.1.3.1 gives a

list of all such methods, with comments and references
(cf.
methods may be used
requiring additional circuitry:
Introduction
3.1.3.1.
Counter tube
(see for
-DC power
supply
500-2000 V
[33] [46]).
Preamplifier and
Geiger Counters are the most widely used, simplest

to apply, require minimum circuitry [14] [21] [22].
Principal limitations are in range of linearity and
in non-dependence of pulse size on X-ray energy.
Proportional Counters [77] and Scintillation Counters
cathode follower
Linear amplifier
100-2000 gain
Linear over the intensity range normally

[13].
encountered; electronic discrimination can be
used to increase peak-to-background ratio [56].
The scintillation counter with Nal.Tl crystal has
high quantum-counting efficiency for
crystallographic wavelengths [64].
all
\
Pulse-height
analyser
^r Print on paper
X-ray
Scaling circuit:
->-
Rate-meter
in tape
Strip-chart recorder
Schematic arrangement of the electronic

used for counter-tube measurements. The
Fig. 3.1.3.1.
and the data are collected in essentially a

point-by-point manner. The random emission of the
X-ray quanta and the limited number of quanta
reflection
circuits
high-gain linear amplifier and pulse-height analyser are

not used with Geiger counters. The printer and tape
counted for a reflection introduce statistical factors in

the counter methods. In order to achieve the maximum accuracy in a given time it is necessary that the
instrumentation give the maximum intensity and peak-
punch are used only with

3.1.3.2.
ratios.
certain applications.
Counter Tubes
3.1.3.2.1.
Special precautions are therefore required for the optimum use of counters.
(1) The X-ray source must have good short- and
to-background
Punch
work
the intensities are integrated

over a relatively long period of time. In counter
methods only a relatively short time is spent on each
In photographic
Geiger Counter.
cross-section of a fre-
quently used type is shown in Fig. 3.1.3.2(a). The

cathode Cis a cylinder made of a metal such as chromeiron, about 2 cm diameter, 10 cm long. The anode A
diameter mounted
is a tungsten wire of about 0-75
long-time stability, ensured by regulation of the X-ray

tube current and voltage. Alternatively, monitoring
mm
144
3.1.
W &

X-ray beam should be directed along and close to the
anode but should not strike it.
Although the operation of Geiger counters is not
critically temperature-dependent, wide fluctuations
should be avoided [42].
The linearity of response is limited by the following
phenomenon. When the gas absorbs an X-ray quantum, a number of ion pairs are produced; for example,
about 300 ion pairs are formed when a CuATa quantum
is absorbed in argon.
The secondary electrons are
attracted to the anode and give rise to Townsend
XXXSXS&:
umuuuiuinni g^:
(a)
**V////////////////r
W///////////XZ&
avalanches until a self-sustained discharge occurs

is subsequently stopped by the quenching gas or
circuit [63]. These processes determine the magnitude
8
(10 6-10 ) of the internal gas amplification. The discharge pulse amplitudes (1-10 volts) are large enough
to be detected by the scaling circuit with little or no
amplification. The electrons leave behind them a
cylinder of positive ions, which grows until it reaches
the cathode, when the tube is restored to its original
which
(b)
During the
electrical condition.
initial
phases of the
cylinder growth, called the dead time (50-300

see Section 3.1.3.3), another
PT
and
tected
linearity
certain
is
minimum
/u.sec;
quantum cannot be
de-
limited thereby.
threshold voltage, dependent
on
required for the Geiger discharge.

There should be a plateau region extending several
hundred volts above this threshold in which counting
the type of tube,
rate
(c)
Fig. 3.1.3.2.
The arrows
Cross-sections of typical counter tubes.
X show the direction of the incident X-ray
C cathode, A anode, SC scintillation

PT photomultiplier tube.
between
DC
mm
A cross-section of a
typical counter, about 2
cm
shown
The rectangular window,

on the side of the counter
in Fig. 3.1.3.2(b).
diameter, 8
cm
long,
is
volume around the anode
(the hatched area
The diameter of
this sensitive area
commonly
determined by the transmission of the

space, and the absorption in the
tively a thin
used. This construction
tube self-quenching. Alternatively, an external

circuit may be added [48] [59].
The tube is not uniformly sensitive across its
diameter. The maximum sensitivity is confined to a
the
quenching
in Fig. 3.1.3.2(a)).
depends on the gas
To
For
vacuum-tight beryllium window may be

is essential to ensure proportionality between the X-ray quantum energy and the
pulse amplitude (see below). A second, slightly larger
window is placed directly opposite the first to prevent
the unabsorbed beam from striking the metal walls
and causing fluorescence and unwanted pulses [38].
Since the gas-absorption path is much shorter than
in the Geiger counter, a gas having higher absorption
must be used to maintain quantum-counting efficiency.
Xenon at 30 cm or krypton at 50 cm Hg pressure are
is
gas length (see Section 3.1.3.4).

To limit the discharge which occurs when an X-ray
quantum is absorbed, a small amount (~0-4%) of
chlorine [37] [76] or bromine [75] is included to make
[73].
little
about 0-6 cmx 1-6 cm, is

tube, which eliminates dead space. It is of thin mica
having its inner surface coated with a very thin layer
of metal such as gold (or covered with a thin sheet of
beryllium) to obtain a uniform electrical field. Alterna-
window and dead
cylindrical
Geiger counters are simple to use and show

deterioration even after counting > 10 9 quanta.
further details see [14] [22] [36].
3.1.3.2.2. Proportional Counter.
C and
efficiency
stability the
[74].
About 1400 volts

is applied
A. X-rays enter at the low-absorption
end- window W, which is often of mica 0-013
thick.
The gas filling the tube is commonly argon at a pressure of 55 cm Hg or krypton at lower pressures.
Separating the anode and window is a dead space in
which X-rays are absorbed but not detected; this must
be kept as small as possible. The quantum-counting
coaxially with C.
For
counter should be operated about

100 volts above threshold. Care must be taken to
avoid double pulses which might be separately counted
beam, H' window,

crystal,
essentially independent of applied voltage.
is
good
is
obtain
filling
and geometry of the tube
maximum
used.
The operating voltage is below the Geiger
efficiency the collimated
so that the discharge
145
is
threshold,
limited to the region where the
3.1.
absorption of the X-ray quantum occurred. The only

Townsend avalanches are those arising from the
secondary electrons, and the gas amplification factor
4
is only about 10
The pulse amplitudes must therefore
be increased about 10 3 times by means of a high-gain
linear amplifier. Pure gas counters have a very long
life but may produce after-pulses following the normal
X-ray pulse, which falsify the count. To avoid this the
operating voltage should be low enough to produce
normal pulses not exceeding about \mV, and a quenching gas may be added.
mixture of 10% methane,
90
xenon is a commonly used filling. Gas-quenched
counters have a useful life of the order of 10 9 counts.
Special designs have been used for single-crystal
.
Polycrystalline scintillation screens formerly used [43]

are inferior to the single crystal. The radial sensitivity
practically constant, and the size of the crystal may
be chosen to intercept the entire X-ray beam. It is
essential that the photomultiplier tube should have
very low noise. A voltage supply of 700-1100 volts
and an amplifier gain of 250-1000 are required.
is
Photomultiplier
life
is
practically unlimited, as
is
that of the crystal unless water vapour penetrates the
For further details
crystal-holder seal.
see [8] [13] [39].
measurements
For further
[57].
details see [31] [32]
[34] [38] [68] [77].
There are two fundamental advantages of proportional over Geiger counters:

(a)
The pulse amplitudes are proportional to X-ray

quantum energies, so that it is possible to discriminate electronically against unwanted radiation
(within limits, see Section 3.1.3.7).
(b)
The dead time

sponse
is
is
only about 0-2
/*sec,
so that re-
linear to very high counting rates.
The two elements of

counter are a fluorescent crystal and a photomultiplier tube (see Fig. 3.1.3.2(c)). The former is a
single-crystal cleaved plate of optically clear Nal
activated with about 1
Tl in solid solution [28]. It is
3.1.3.2.3. Scintillation Counter.
this
on the X-ray beam side

be undeformed, since absorption occurs in a thin surface layer. The crystal is hygroscopic and must be
hermetically sealed. An Al holder having a Be window 0-13
thick (or Al 0-013 mm) to admit the
incident X-rays, and a glass back to transmit the
visible-light scintillations has been used [56].
To
increase the light reflectivity a bright Al foil 1
thick
is placed between the Be window and the crystal, the
internal section of the holder is shaped and highly
polished, and a mounting fluid of about the same
refractive index as the glass attaches the holder to
the end of the photomultiplier tube. The entire
assembly is in a light-tight cylinder, and if magnetic
fields are present a mu-magnetic shield is used round
the photomultiplier. A side-window crystal counter
has also been used [6].
The colour of fluorescent light (violet) from the
crystal matches the maximum spectral sensitivity of
the photomultiplier tube. The fluorescent-decay time
is only about 0-2 /xsec, and thus the dead time is about
essential that the crystal face
mm
ju,
3.1.3.3.
the dead time

of the counter tube or scaling circuit (and pulse-height
analyser if used), whichever is longer, and on the mode
of operation of the X-ray tube.
(1) Dead Time of Counter Tube. Several methods
have been used to decrease the dead time (50-300 /xsec)
of Geiger counters but they have disadvantages, and
in no case is the value reduced to that of proportional
and scintillation counters. The amplitude of the
pulses after the dead time increases rapidly to a maximum value. The "observed dead time" is therefore
dependent on the size of pulse required to operate the
scaling circuit. It can thus be reduced by increasing
the amplifier gain or decreasing the pulse amplitude
requirements of the scaler. During the dead time very
small pulses are formed; special high-gain non-overloading amplifiers may be used so that the scaler will
count both proportional and Geiger pulses [45] [67].
Placing glass beads on the anode has the effect of
dividing the tube into a number of sections, but this
Multiplealso decreases the pulse size [12] [50].
chamber construction with the X-ray beam normal to
the anodes has the same effect. The introduction of a
known dead time [19] or a high-speed quenching
circuit [59] has also been used. Operating the Geiger
counter at higher voltages also increases the linearity
(Fig. 3.1.3.3). The use of lower argon gas pressures is
self-defeating, since efficiency is also reduced. Xenon
cannot be used in self-quenched Geiger counters.
(2) Scaling Circuits. The dead time of proportional
and scintillation counters is so short that the limiting
factor is usually the circuits. Scaling circuits with
;
resolving times of
The quantum-counting
efficiency is
Nal'.Tl this
is
100%
for
all
^sec are widely available.
distribution of amplitudes of the pulses
The
The
linearity
it
receives.
depends on the dead time and the rate
of arrival of the pulses at the analyser.
Analysers
linear at rates exceeding 15,000 c/sec are available.
DC
Constant-potential
(3) Mode of Operation.
operation of the X-ray tube gives a shorter effective
operation,
Geiger dead time than full- or half- wave
because, using AC, characteristic X-rays are produced
during only a fraction of the time, depending on the
critical excitation potential of the X-radiation, and the
voltage. For example, a dead time of 170/xsec was
AC
dependent on
mm thick
commonly-used X-ray
crystallographic wavelengths. Organic scintillators have
too low an absorption and therefore low
dead time of the pulse-height analyser depends on the
that of the proportional counter.
the X-ray absorption in the crystal. For 0-5
Linearity
The linearity of the system depends on
efficiency.
146
3.1.
obtained with a Geiger tube using CuAa at 35 k V DC,

/usee under the same conditions with full-wave
operation. Increasing the X-ray tube voltage in fullwave operation also improves linearity (Fig. 3.1.3.3).
the
\kVp
10
40
100
300
V>Th\
2,000
1,000
on a
linear scale (Fig. 3.1.3.3)
limits of linearity.
precludes electronic discrimination. Since the current

produced by, say, a MoAa quantum would be about
500
twice that by a
3-
foils
The correction is easy to

apply to peak intensities but not to integrated line
intensities, because of the continuous variation of the
counting rates [18]. Nomograms are useful for making
large numbers of corrections [4].
(5) Extension of linearity. At high counting rates
the Geiger counter chokes, that is, obs decreases as
n tTue increases. Depending upon the conditions and
dead time, the maximum counting rate that can be
measured is of the order of 2000-5000 c/sec (Fig.
3.1.3.3). Linearity can be greatly extended by measuring the average current of the counter tube instead of
counting individual pulses. Linearity to 10 7 c/sec has
been obtained with the scintillation counter [49], and
even higher rates are possible. However, this method
10,000
5,000
number of
shows the
and 270
CuAa quantum,
suited to the use of
200
the
monochromatic
method
is
radiation.
best
For
example, in the orientation of single crystals high

counting rates permit the use of small time-constants
required for rapid readings of the rate-meter [53] (see
Section 3.1.3.10).
3.1.3.4.
Quantum-counting Efficiency
Calculation of Efficiency. The efficiency E of a

detector may be calculated from known absorption
(1)
coefficients, using the expression
E=/r./,
4
No. of Al
Fig. 3.1.3.3.
where fT is the fraction of incident radiation transmitted through the window and inactive length of the
Geiger counter and/., is the fraction absorbed in the
active portion of the counter. fA depends on the length
and pressure of the gas path in Geiger and propor-
foils
Linearity of a commercial argon end-
window Geiger counter for CrAa, using multiple-foil

(Al) method. The curves (see upper right-hand corner)
correspond to two different X-ray tube voltages (10
and 40 k V peak, full-wave rectification) and two different counter voltages (100 and 300 above the Geiger
threshold (Th), which was 1400 volts).
tional counters or
Correction for Non-linearity. The observed incan be corrected for non-linearity of the
system using the relation
allowed
crystal [64].
(1)
the scintillation
assumes that only
photoelectric absorption determines E. This
is
usually
However,
limited radial sensitivity and escape peaks (Section
3.1.3.8) may considerably reduce E, and must be
(4)
-T effw obs)
on the thickness of
Equation 3.1.3.4
true for X-ray crystallographic wavelengths.
tensity obs
w true -W obs/(l
....(1)
(2)
for.
Variation with Wavelength.
varies with
wave-
and usually diminishes at short wavelengths

because of lower absorption by the gas or crystal, and
length,
(1)
long wavelengths because of increasing window

There may be abrupt changes in E at
absorption edges, that is, at the iodine A-edge in the
Nal.Tl crystal and the KrAf or XeA edges in the proportional counters. Such discontinuities may cause
changes in the background level of X-ray patterns,
especially near the strong reflections. They are similar
to the AgA and BrA" absorption-edge effects seen on
film. The wavelength dependence of E is shown in
Fig. 3.1.3.4 for four common counter tubes. The
absorption of a double-coated X-ray film commonly
used in the U.S.A. is shown for comparison [65].
at
where r eff is the effective dead time of the entire system.

The value of r eff may be measured with an oscilloscope
[60] or by the multiple-foil method [1] [40]. A monochromator is used to reflect the characteristic X-rays
into the counter, and a number of foils each of the
same absorption are added in the beam one at a
time. To make sure that only monochromatic radiation is measured, pulse-height discrimination (see Section 3.1.3.7) may be used, or the X-ray tube voltage
should be low enough to avoid generating radiation
of wavelength A/2. Plotting obs on a log. scale against
absorption.
147
'
3.1.
Ag Mo
K a- Radiation:
Cu Ni Co Fe
Cr
3.1.3.5.
Pulse-amplitude Distribution
Geiger Counter. The discharge is triggered by

the absorption process the amplitude of the pulse is
independent of the energy e of the absorbed X-ray
(1)
quantum.
(2) Proportional and Scintillation Counters. An important advantage of these counters is that pulse
amplitudes are proportional to e, so that electronic
methods can be used to reduce the background from
different wavelengths and other sources (see Section
3.1.3.7).
Even using monochromatized X-rays, the
pulse amplitudes have a distribution varying around
an average value
(Fig. 3.1.3.5 (1)). The width
at
is prohalf peak height is proportional to ^/e and
portional to e. The ratio W/A is a measure of the
energy resolution of the counter at a given wavelength
0;5
/C-absorption edge
Xe
the smaller the ratio the better the resolution.

1
|
|1;5
||
Ag Mo Kr
Cu Ni Co
Br
Fc
Wavelength (A)
Fig. 3.1.3.4.
Calculated quantum-counting efficiency
as a function of wavelength A for four counter tubes.
Counter
Gas
(em Hg)
Length
(cm)
cm A
cm Kr
cm Xe
Geiger
Proportional
Proportional
55
32
Scintillation
(Nal.Tl)
55
The absorption of
10
2-2
2-0
0-1
Window
thickness
{cm)
Mica 0-0013
Mica 0-0013
Mica 0-0013 +
Be 0-013
0-013
Be
double-coated X-ray film
That the
energy resolution varies regularly with the energy of

the absorbed X-rays and improves inversely with \/\
has been demonstrated for a wide range of A [26] [47].
(3) 77?<? Widths of the Distributions. These are inherent in the counter-tube processes and are unlikely
to be greatly reduced. In the Xe proportional counter
each CuAa quantum absorbed produces an average of
Cr
DiiTerentia!
/
100
75
is
indicated by the dots.
50
25
(3) Selection
of Counter Tube.
E is a most important
factor in the selection of a counter tube for X-ray

1
crystal-analysis problems.
The
scintillation
counter
Integral
has the highest and most uniform E for crystallographic wavelengths, about seven times greater for
MoAfa than the Xe proportional or argon Geiger
counters. This allows a decrease of recording time by
a factor of 7 for the same statistical accuracy, or an
improvement in accuracy by \/7 using the same recording time (see Section 3.1.3.10). Since the scintillation
counter has a high E for the short-wavelength continuous spectrum, it is desirable to use pulse-amplitude
100
75
\ MoA'a
\
17-5 k eV
50
\
CuA'u
\8 keV
25
discrimination to reduce the scattered background in

powder diffractometry whereas the Xe proportional
>
Channel AVindow
Base
and argon Geiger counters act as crude monochromators because of their low E for the shorter wavelengths and do not need discrimination, although even
with these it decreases the recorded background. The
Kr proportional counter has a higher sensitivity to the
short wavelengths and lower sensitivity to the long
10
15
width
20
25
30
35
Pulse amplitude (V)
Fig. 3.1.3.5 (1).
Calculated pulse amplitude distribuas differential curves
CuKa and MoKa drawn

forW/A=50%forCufo<.
tions of
Fig. 3.1.3.5(2). Ditto as integral curves. The symto cut off 5

metrical setting of the channel about
from each side of the MoKa distribution is indicated.
wavelengths than the other gas-filled counters. It

therefore gives a lower peak-to-background ratio when
used with A> 1 A.
148
3.1.
350 ion
pairs.
The
statistical variation in this
slope of the intensity vs voltage curve between the

threshold voltage and the bend of the plateau is greater
for proportional counters and occurs at higher voltages
The
number,
variations in the gas-amplification factor, small irregularities
and mis-centering of the
value of
W/A=20%
at
wire, etc. [73], lead to a
W/A=50% at CuK<x with good-quality crystal

and photomultiplier
3.1.3.6.
[13].
The beginning of
mounts
tubes.
Plateau
the plateau gives the
minimum
Using a low-intensity (<5000

monochromatic X-ray beam, counting rate
of about 1000-2000.
may
interval
is
counter voltage required to produce pulses of sufficiently large amplitude over the entire distribution of a
given X-ray energy for them all to be detected. If
extremely high or low voltages and gains are avoided
there is not much practical difference as to how they
are apportioned, since the plateau is long. This also
makes it possible to use standard Geiger-counter
voltage
voltage supplies with a stability of 0T %.
may be selected to measure and/or discriminate
against a range of wavelengths. For the case shown in
Fig. 3.1.3.6 (1), 825 volts would ensure counting all the
pulses of CuKoc and shorter wavelengths, while 650
volts would prevent counting CuKcc and longer
The
Geiger Counter (see Section 3.1.2.1).
(1)
threshold and plateau voltages are essentially independent of X-ray wavelength.
The
(2) Proportional and Scintillation Counters.
pulses are fed through a preamplifier and cathode
follower (which should be mounted at the tube) to a
stable linear amplifier, preferably with adjustable gain
c/sec)
scintillation counters.)
threshold and initial plateau voltages
mass-produced proportional counters [17].

In a scintillation counter a CuKcc quantum produces
about 500 visible photons of average wavelength
4100 A in the Nal.Tl crystal, but only about 25 will be
effective in the photomultiplier-tube operation
The
between
about 100 volts.
Since both are dependent upon X-ray wavelength and
the rate of increase of pulse amplitude with voltage,
calibration of the counter must be made with the
wavelength required for the given crystal problem.
than for
CuKoc for well-constructed
be plotted against voltage applied to the counter
wavelengths.
tube:
various wavelengths, using a fixed amplifier

gain (Fig. 3.1.3.6(1));
{a) for
3.1.3.7.
Electronic Discrimination
The use of
(b) for
a given wavelength, using various amplifier
gains (Fig. 3.1.3.6(2)).

(Similar curves
may be
the pulse-height analyser
sible to discriminate within
narrower
possible by varying the voltage or gain
obtained for a given wave-
(1)
Method of Operation.
The
/lOOf
700
it
pos-
than
[56]
is
[69]
[72].
length and voltage by increasing the amplifier gain.
600
makes
limits
800
1.000
600
Voltage (V)
700
pulses
from the
Gain /
#500
800
900
,000
Voltage (V)
Fig. 3.1.3.6 (1). Plateaux of scintillation counter for various wavelengths, using an amplifier gain of 1000. The
curves are normalized to the same intensity at the highest voltage. The noise curve of the photomultiplier is
plotted in c/sec.
Fig. 3.1.3.6 (2).
Plateaux for one wavelength, using two amplifier gains.

149
3.1.
linear
are fed
amplifier
full-wave rectification, as reflected by a Si singlecrystal plate cut parallel to (111) and detected using a
through a single-channel
analyser having:
(a)
an adjustable base
level that
pulses greater than a
can be
minimum
The use of a Ni filter (Fig.

balanced Co filter (Fig. 3.1.3.7 (3c))
removes most of the CuA)S or CuKa. lines respectively,
but has little effect on the short-wavelength continuum. The corresponding patterns obtained with
scintillation counter.
set to pass all
3.1.3.7 (3b)) or
selected amplitude
and
(b)
an adjustable channel width (window) that can be

set to reject pulses greater than a maximum selected
amplitude. The channel widths required in X-ray
crystallography are usually much wider than those
for nuclear work. In selecting the analyser the
channel should be at least 20 volts wide. The
distribution must fit within the channel width.
Although the channel can be varied,

that the average amplitude
enough for the base
100
80
(Fig. 3.1.3.5)
be large
m
w
low
40
(~
1
20
\
,
**
>v
j
10
0-5
30
2-5
2-0
1-5
Wavelength (A)
100
80
Cutfa
CrATa
Ml
111!
'
.ÔCE, Xe, Prop. C.
,^-j
60
^_T\
40
I^L
/ \Y
/
\
N,
/
I
MoKa.'
%v
20
iK
A.''l
/\
y'
J-r*
\
1-0
0-5
1;5
V^
2-0
2-5
3-0
Wavelength (A)
Calculated efficiency of detection

Fig. 3.1.3.7(1).
system as a function of wavelength A when analyser is
set to pass 90 % of MoAâ, CuAa, Cr^Ta lines, using
QCE is quantum counting
trum from a Cu-target tube operated at 40
show
..
1
1
CrKa. The sub-harmonics A/2, etc., are easily removed,

but it is impossible to distinguish between Ka.^ a 2
because of their small energy difference AjS is reduced
only by a small amount.
in Fig. 3.1.3.7 (3a)
->
60
halved.
The recordings
>'
can be increased (without window) until

is
'
Pulse-amplitude distributions
in the form of differential curves (Fig. 3.1.3.5 (1)) may
be recorded with the rate-meter, using a narrow
channel width, say 0-5 or 1-0 volt, and driving the base
level of the analyser at a constant speed. Corresponding integral curves (Fig. 3.1.3.5 (2)), which show the
counting rate of pulses with amplitude greater than
that indicated by the abscissa value, are useful for
determining the final setting of the analyser. They are
determined in the same way but with the analyser
window at its maximum width.
(2) Effectiveness of Discrimination. This is shown in
Fig. 3.1.3.7 (1) and (2) (for particular counters) as
a function of X-ray wavelength (A<3 A) in terms
of variation of counter-system efficiency when the
of MoKa, CuKoc or
analyser is set to pass up to 90
the intensity
essential
setting not to cut into the
Scint. C.
CrA:
--ML
it is
QCE,
CuKcT
/^
T
\
_,
pulse-amplitude side of the distribution and not so

large that the large-amplitude pulses are cut off by the
other side of the window. To measure A, the baselevel setting
r MoKa
the spec-
efficiency.
kV
Fig. 3.1.3.7 (2).
peak
TABLE
Ditto for proportional counter.
3.1.3.7
Peak-to-background Ratios for Various Counters with and without Discrimination

(silicon powder, 1 1 1 line)
Scintillation counter
Proportional counter
(xenon)
Proportional counter
(krypton)
Geiger counter
(argon), corrected
for non-linearity
With
Without
With
Without
With
Without
51
64
29
26
Mo/sTa
44
10
44
CuKoc
134
12
146
16
57
CrKa
93
92
16
150
27
46
18
3.1.
No PHD
Ni
Unfiltcred
6,400r
(C)
(b)
(a)
Cu^jS (77,700)
Cutfj8 (74,600)
MCuK*
(410.000)
Co
Filter
Filter
Cu/Ca (179,000)
If
4,800
.3,200
1,600
With
PHD
6 400r"
'
(d)
tCuXa
\CuKa (383,000)
(167,000)
4,800
3,200
1,600
50 (20)
2-5A
Fig. 3.1.3.7 (3a).
Spectrum of Cu-target X-ray tube (40 kKp, full-wave
silicon crystal plate cut parallel to (1
with balanced
WL lines
Co
filter.
(3d-f)
Same
1)
and
refers to the AT-absorption edge;
the pulse-height analyser set to pass about 90% of

CuKa are shown in Fig. 3.1.3.7 (3d, e, f). The discriminator has removed most of the short-wavelength
filter.
EP
therefore smaller [55].
(3c)
Same
as (a),
90% CuKa. The
escape peak.
The
ft
filter is
also less effective,
which makes the background even less uniform.

It is generally
(3) Setting of Analyser Window.
continuum, leaving only the weak continuum between

1 and 1 -9 A. The Ni filter removes most of CuKfi and
the remaining continuum for wavelengths less than the
~NiK absorption edge. The fact that the background
changes abruptly at the ~NiK edge and falls off gradually
on the long-A side should be allowed for in accurate
integrated line-intensity measurements. The background for A>NLRTedge consists mainly of the (CuKoc)
A/3 component reflected by the crystal. (There is no
222 reflection; 333 is about 8% of 111 for silicon.)
This component is eliminated by the discrimination.
Table 3.1.3.7 illustrates the fact that when the
desirable to set the analyser
window symmetrically
A (on
an energy scale as shown in Fig. 3.1.3.5)

to cut off no more than about 5 % of the characteristic
radiation on each side of the distribution, for two
about
reasons
(a)
(b)
Small circuit instabilities will cause large variations

of the intensity if either or both sides of the channel
are set on the steep portions of the distribution.
Using narrower channels often reduces the characa greater rate than the
background (but see Section 3.1.3.7 (6)).
teristic-line intensity at
and the continuum maximum are

and longer wavelengths), disa strong line on a weak background
(4) Single-crystal Diffractometry. Here the channel

mainly (and, with crystal monochromators, entirely)
used to eliminate reflected sub-harmonics. The channel
cannot be reduced sufficiently to remove the background near to the Ku. line without eliminating the
Using balanced filters, discrimination
line itself.
reduces the spectral range over which the filters must
well separated (CuKa.
crimination gives
Same with Ni
as (3a-c), with pulse-height analyser set to pass about
are target impurities, the symbol
characteristic line
Rate-meter recording with
rectification).
(3b)
(A)
is
of limited spectral range. When the line occurs at or

near the maximum, as for MoKa and AgKa, the
background on the long-wavelength side of the line is
relatively large, and the peak-to-background ratio is
151
3.1.
be accurately balanced, thus improving precision (cf.

Fig. 3.1.3.7 (3a and b) with (e and f)) [62].
(5) Powder Diffractometry. The effect of the channel
width is shown in Fig. 3.1.3.7 (4) for the 111 line of
silicon powder, Ni-filtered CuA'a, at 40 kV peak (kVp).
200
150
P/B
Fig. 3.1.3.7 (4).
background
Observed CuA'a intensity and peak-to-
are
powder
rectification, Ni
Silicon
of CuA'a and the use of the monochromator at

CuA'a intensity, P/B would be about
the same as that obtained by discrimination. This has
been confirmed experimentally [15].
Reduction of
(6) Fluorescence from Specimen.
fluorescent background may be achieved by increasing
the base-level setting of the analyser, if A (fluorescent)
> A (characteristic). This is more effective with the proportional counter because of its better resolution.
FeA' fluorescence could be reduced by 96% with a
reduction of only 50% for CuAa [17]. When the
window of the analyser is set on the steep slope of the
pulse-amplitude distribution, as is required to reduce
the fluorescent radiation, the circuits must have a very
high degree of stability to avoid intensity fluctuations.
If A (fluorescent) <A (characteristic), the lower efficiency E of the Xe proportional counter in that region,
and the use of the high-energy side of the window, are
effective in reducing the background.
3.1.3.8.
ratio with various settings of the pulse(1)
height analyser window. The symbol > refers to the

use of only the base-level setting without channel.
Numbers
50%
least halves the
Escape Peaks
The pulse-amplitude
Cause of Escape Peaks.
distribution of proportional
and
scintillation counters
or more peaks, even when monochromatic X-rays are used. Absorption of the incident
X-rays by the counter-tube gas or scintillation crystal
may cause X-ray fluorescence. If this is re-absorbed in
may have two
base-level-window settings in volts.

111 line, CuA'a, 40 kKp, full-wave
filter.
volume of the counter only one pulse is

produced, of average amplitude A 1 proportional to the
incident X-ray quantum energy e 1 {k = constant)
the active
Counter.
Increasing only the base

level to cut off a few per cent of CuA'a has little effect
(a) Scintillation
on P/B, the peak-to-background
ratio,
because
=ke 1
(0
consists largely of the short-wavelength continuum.
However, the gas or
Introducing the channel greatly increases P/B by

elimination of most of the short-wave background.
Narrowing the channel increases P/B at a rate smaller
than the decrease in CuA'a intensity.
(b) Xe Proportional Counter. The same effect occurs.
Here P/B is higher than for the scintillation counter
(i)
coefficient for its
etc.
of the escape pulses
=k(e 1 -e 2 )
is
(2)
Thus
(3)
(2) Effect of Escape Peaks. The pulse-height analyser discriminates against pulses only on the basis of
their amplitudes. When it is set to detect X-rays of
energy e it is also sensitive to X-rays of energy e +e 2
For example, for CuATa, e =8 keV, and for the
escape X-rays iodine A'a, e 2 =28-5 keV. A pulse-height
analyser set to detect X-rays of energy 8 ke V is also
sensitive to X-rays of energy 36-5 keV, because from
because of its better energy resolution (thus permitting a narrower pulse-height analyser window).
However,
The average amplitude
because of the lower gas absorption (and hence

lower quantum efficiency) of the continuous radia-
should be noted that the proportional

not show much improvement in P/B for
the short wavelengths, e.g. AgAa and MoAa, because
its quantum efficiency is low, thereby greatly reducing
counter
low absorption
fluorescent radiation; hence
some quanta of the latter, of energy e 2 may escape

from the active volume of the counter, the amount
depending on the geometry of the tube, gas, windows,
tion below the K<x lines

(ii)
crystal has a
own
it
may
the peak height P.
Measurement of the background spectral distribution

with balanced filters of a number of non-fluorescent
samples showed that Cu Ka. contributes 50-90
to the
total background intensity when using electronic dis-
equations 3.1.3.8 (1) and (2):
=O = A:(36-5-28-5) = A
escape peak EP shows

clearly at 0-35 A, the wavelength of 36-5 keV X-rays.
most striking escape peak, which contains about
of the total counts, occurs when the Kr propor55
In Fig. 3.1.3.7 (3d,
crimination. If an efficient focusing-crystal monochromator were used, any further reduction in background over that obtained with the discriminator
could come only from eliminating the non-CuATa
radiation. Since the background contains at least
e, f) the
A
%
tional counter
is
used with
MoAa
If the base level is raised to reject
152
(Fig. 3.1.3.8 (1)).
it,
the efficiency of
3.1.
the counter system is more than halved. When a Xe

proportional counter is used with CuKoc a small escape
peak occurs near the main peak (Fig. 3.1.3.8 (2)), and
this may be included in the analyser setting.
set for CuKoc. Thinner scintillation crystals reduce background in diffractometry of
when the analyser was
radioactive samples [30].

3.1.3.10. Statistical
Mofe
JV
over a very large number of determinations. The

is
spread is given by a Gaussian distribution (if
large) with standard deviation
10
Pulse amplitude (V)
Fig. 3.1.3.8 (1).
Observed
main and escape peaks
showing
krypton proportional
differential curves
for
a=N
counter with MoKa..

Fig. 3.1.3.8 (2).
confidence
value.
Noise
dence
(1) Photomultiplier Tubes. Modern construction has

reduced noise so that relatively long wavelengths can
be measured (CrATa as a matter of routine). Fig.
3.1.3.6 (1) shows that all C\xK<x and shorter wavelengths can be measured without interference from the
noise, in the case of the particular scintillation tube
illustrated. A measurement of all the TiKoc would
include about 9 c/sec of noise. Raising the base setting
of the analyser to eliminate noise would reduce the
measured line intensity by 22 %.
To avoid the photo(2) Proportional Counters.
multiplier noise interference with longer wavelengths
(>2-29 A) and to eliminate the loss of efficiency due
to window absorption, a flow proportional counter
with very low-absorbing non-vacuum window may be
used [27] the small amount of gas that escapes at the
(1)
level, i.e.
the probability that the result

from the true
deviates less than a certain percentage
Non-X-ray Background
3.1.3.9.1.
Any individual determination of iV or the corresponding counting rate n{=Njt) will be subject to a
proportionate error e, which is also a function of the
Ditto for xenon proportional counter
with CuKa.
3.1.3.9.
Volume
Precision aimed at in intensity measurements

[51].
depends on the X-ray diffraction problem (Section
It also affects the precision of angular
3.1.3.1).
measurement.
In the following, constancy of average X-ray intensity during measurement is assumed. Let A" be the
average of N, the number of counts in a given time /,
E
30
Size Factors (see
3.1.3.10.1. Counting Statistics. The general problems

involved in achieving maximum accuracy in minimum
time and in assessment of accuracy, where the rules of
statistics apply, are described in many books and
review papers on mathematical statistics [61]. For
specific applications to X-ray crystallography see [41]
CuKa
20
and
Section 2.6)
II,
If
level,
is
the constant determined by the confi-
then
c=QIN*
....(2)
where (2=0-67 for the probable relative error

(50% confidence level) and g=l-64, 2-58 for the
10-0
'
e 50
90,
5-0
2-0
90
50
1-0
window
is
continually replenished.
0-5
Cosmic Rays and Radioactivity. The amount

of these contributing to the non-X-ray background
which can be detected depends on the volume of the
detector and the analyser settings. The proportional
counter cannot be much reduced in size, but the
scintillation crystal should be only large enough to
intercept the diffracted beam. For example, in a
laboratory with normal low radioactive background a
3
gave a background
scintillation crystal 14x4x 1
of 3 1 counts per minute, which was reduced to 2 c/min
3.1 .3.9.2.
0-2
\o 2
10 2 2
10 3 2
10 4 2
10 6 2
10 6 2
10 7
mm
Fig. 3.1.3.10 (1). Percentage error as a function of the

total
153
number of counts
N for various confidence levels.
3.1.
99%
confidence levels
#=4500;
equal to
(e 90 ,
e 99 )
27,000; 67,000 for

1
%. Fig. 3.1.3.10
respectively.
(1)
shows various percen-
for several confidence
tage errors as a function of
of the rate-meter, 2.TC is equal to the total number of

counts for a time interval 2TC. If t>TC and the
average intensity is constant, each "instantaneous"
rate-meter reading has an error
Thus
e 50 , e 90 , e 99 respectively
levels.
Q/(2n.TC)i
In practice there is usually a background counting

rate n 2 If n x is the (peak+ background) gross counting
rate, then the precision of the net peak counting rate
n x -n 2 is dependent on the P/B ratio as well as on n u
n 2 separately. If e x e 2 are the relative errors of l5 n 2
then the absolute errors are n 1 e l and n 2 e 2 and the
relative error of n x -n 2 (provided that n x -n 2 is not too
small)
is
[(n^y+in^yy
ed=-
(3)
n-i-n<>
which shows that
e d is
similarly influenced
by both
absolute errors.
number of measurements
If a large
is
required,
methods are
it is
Instead, the
precision in the time available for the
measurements
clearly tedious.
most widely-used method is to record

automatically the output of the counter tube, which
is moved at constant angular velocity. The output of
the rate-meter lags behind the input by about TC, and
desirable to use a "counting strategy" which gives the
maximum
(I)
If the output of the rate-meter is recorded during a

time interval several times longer than 2TC, a straight
line drawn through the recording will give an average
value of n with an error e= QKm.2n.TC)*, where
is
an appropriate multiplier. An entire line profile may
be automatically step-scanned with special goniometer
gears [54] using the rate-meter recording method.
When an entire diffraction pattern is wanted, the
angular increments in the narrow lines must be of the
order of 0-01-0-03 (20). Much larger intervals could
be used in the background, but the positions of the
lines are not necessarily known. Fixed-time manual
[41].
Fixed-time and Constant-angular-velocity

Methods. The scaling circuit may be used to determine
the counting rates n at intervals of crystal angle 9 and
counter-tube angles 20, keeping t constant and plotting
n (= intensity) as a function of 9 or 29. Or n can be
measured by a rate-meter. If TC is the time-constant
3.1 .3. 10.2.
hence there
is
distortion of the line profile.
The
line
peak is shifted in the direction of the goniometer scan,

the peak intensity is reduced and the line is asymmetrically broadened; but the integrated intensity is
not changed [51] [67].
-
3,200
r (a)
(c)
(b)
TC = 4
V=
V=l/2/min
V=l/4/min
TC = 2
sec
"/'min
TC=16sec
sec
2,400
1,600
.1
800
URev.
LU
90-5
85-5
Rev.
LX7
~~
90-5
90-5
85-5
90-5
90-5
TC
85-5
L_
90-5 (20)
and time-constant
on line profile. Silicon powder
Fig. 3.1.3.10 (2) (a-c). Effect of goniometer scanning speed
line, Cu^Ta, angular aperture 4, receiving slit 0-05 (29). Arrow indicates reversal of scanning direction at
85-5. The chart speeds were changed by factors of 2 to make the linear distances the same in all recordings.
422
154
3.1.
The amount of distortion depends on TC and n,

and for a given line n is determined by the goniometer
apertures and scanning speed V. Fig. 3.1.3.10 (2)
shows that when the product V.TC is the same, the
profiles are the same even though the total number of
counts in Fig. 3.1.3.10 (2a) is twice as great as in (2b)
because the scanning speed is halved. In powder
diffractometry the distortion is small for values of the
product V.TC of the order of l/min. sec, but large
for large values such as 16 (Fig. 3.1.3.10 (2c)). The
slope of the line also affects the amount of distortion,
as can be seen by comparing the Ka x a 2 profiles on
alternately scanning towards increasing and decreasing
3.1.3.10.3. Fixed-counts Methods. Here the stepscanning method may be used to accumulate a preso that the statistical
selected number of counts
accuracy is the same for all counting rates. The time
required for each measurement thus varies inversely

with n and is very large for n small if high precision is
required. Manual labour can be eliminated by use of a
counting-rate computer [25] which
(a)
to accumulate
(b)
The angular
(b) to
(c)
(d)
scan both sides
down
to
background
added pulses have

level
3.1.
make it possible to use the fixed-count method

when time is an important factor and where precision
T-hey
is less
[12]
[2]
Blackwell, H. R.
[3]
Caticha-Ellis,
[4]
Commission on Crystallographic Apparatus
[5]
Hellner, E. Z. Kristallogr., 106, 122, 1954.

Kennard, O. Acta Cryst., 10, 743, 1957.
Klug, A. Ibid., 11, 515, 1958. (Further references
[14]
[15]
[1]
[2]
[3]
[4]
[5]
J.
[11]
Cryst., 7, 746, 1954; 9, 819,
J.
G. and Lonsdale, K. Nature, Lond.,
Whittaker, E.
J.
W.
Ibid., 6, 218, 1953.
3.1.3.
Alexander,
Lonsdale, K., Milledge, H. J. and Nave, E. Miner.

Mag., 32, 185, 1959. See also Lonsdale, K. and
Milledge, H. J. Acta Cryst., 12, 417, 1959.
Mees, C. E. K. The Theory of the Photographic
Process. Chap. 9, pp. 327-44 (74 references)
(MacMillan, New York, 1954).
Kummer,
and Klug, H.
P.
/.
Appl. Phys., 20, 735, 1949.

Allen, J. S. Rev. Sci. Instr., 12, 484, 1941.
Idem. Ibid., 18, 739, 1947.
Andrews, H. L. Ibid., 21, 191, 1950.
Bachman, C. H., Gelormini, O. J., and Davis, H.
W.
Am.
L.,
E.,
[6]
Roentgenol, 73, 98, 1955.

Berger, H. Proc. Nat. Electron. Conf,
[7]
Bragg, W. H., and Bragg, W. L. Proc. Roy. Soc.
Brit. J.
Appl. Phys., 7, 380, 1956.

[10]
3,
173, 1145, 1954.
Lipson, H. and Cochran, W. The Determination of

Crystal Structures. The Crystalline State, Vol.
III.
(Bell, London, 1953).
(Further references
Lonsdale, K. and Grenville-Wells, H.
Wells, H.
I.U.
given.)
[9]
and Van Kreveld, A. Physica,
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Cryst., 11,
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[8]
S.
D. C. Acta
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Cryst. Ibid., 9, 520, 691, 1956.
[7]
Ornstein, L.
9, 578, 1936.
481, 1958.
[6]
Since crystallite
815, 1936.
[1]
/.
Crystallite-size Effect.
has a large effect on line intensity in powder diffractometry it is necessary, for the most accurate
counter work, to use sizes of the order of 1-5 \i [29]
and/or to rotate the specimen in its own plane [16].
size
References
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3.1.3.10.4.
3.1.1., 3.1.2.
S.
The precision obtained with these methods lies

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Except possibly for overlapping reflections this method

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may be used to reduce the time.

may be increased and/or N
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to measure the
mulate
interval
decreased in the
of a doublet
lines
the goniometer for the next reading.
Several alternatives
both
N;
records the data on a strip chart;
(c) resets
20 (Fig. 3.1.3.10 (2c)).

The integrated line intensity may be obtained by
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more
scanning and subtracting the background.
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de Wolff, P. M., Lowitzsch, K., and Parrish,
Madrid Congress Abstracts, 1956.
de Wolff, P. M., Taylor, J., and Parrish,
Neher, H.
[49 ]
J. Sci. Instr., 24, 233, 1947.
[13] Idem.
[14] Curtiss,
Brit.
J.
940, 1936.
Engrs., 11, 367, 1951.

S.
and Campbell, A.
T.,
Phys., 9, 406, 1958.
York, repr. 1960).

[11]
Mulvey,
and Weyerer, H.
Rontgenbldtter, 10,
West, D. In Progress in Nuclear Physics, ed. Frisch,

O. R. Vol. 3, p. 18. (Pergamon, London, 1953).
Wilkinson, D. H. Ionization Chambers and Counters.
(Cambridge University Press, New York, 1950).
Willardson, R. K. and Danielson, G. C. U.S.
Atomic Energy Commission Reports, ISC- 163,
1950.
340, 1957.
[80 ]
156
Winogradoff, N.
/. Sci. Instr., 25,
432, 1948.
3.2.
3.2.1.
Absorption
absorption coefficient p/p (cm 2 /g) is defined, where p
is the density of the absorber. Thus
X-ray Absorption
Symbols used
in the text
atomic weight in atomic units
hv /mc 2
H
t
/*/='--*
/=P
m v = total
velocity of light
where
electronic charge
the plane-parallel plate.
more
ap t
sl
....(2)
mass and affront surface area of

The quantities m p and a are
Planck constant
often
wavelength
pip is found to be approximately independent of the

physical state of the material. Moreover, it is also
electronic
number of molecules
P
pa
atomic absorption coefficient
mass
in unit cell of
Avogadro number
frequency of incident photon (sec -1 )
density (g/cm 3)
<t
linear scattering coefficient
is, to a good approximation, additive with respect to the mass absorption

coefficients of the elements composing it
linear photoelectric absorption coefficient
volume of absorber containing n { atoms
atomic number
(3)
where g is the mass fraction contributed by the element / with mass absorption coefficient {p/p)i, and the
summation is taken over all constituent elements.
The additivity relation (3) can be interpreted as
stating that the total intensity loss of the primary beam
is the sum of the losses incurred by its interaction with
the individual atoms in its path. If the atomic absorption coefficient or "atomic cross-section for absorption," p a (cm 2 ) is defined by
/*
For values of universal physical constants see Table

2.1.1. (p. 40)
When
l /p=^gi(^fp)i
3.2.1.1.
t.
found that p/p for a substance
volume Vc
linear total absorption coefficient
accurately measurable than
Phenomenological Definitions
a parallel narrow beam of strictly mono-
Mi=(p/pUAlN)
then
chromatic X-rays, with incident intensity 7 passes

through a plane-parallel layer of homogeneous, isotropic material of thickness t cm, with surfaces normal
to the beam direction and more than covering the
total beam cross-section, the emergent intensity I is
given by
it
....(4)
follows from (3) and (4) that
7=/
exp(-/x/)
/*=
2 "ifaJi
..(5)
where n is the number of atoms of element / in the

volume V.
For crystalline material with known molecular composition and unit cell this relation is conveniently
t
....(1)
written as
This relation defines the total linear absorption co-1

efficient p (cm ) for the primary beam.
Relation (1) is only valid if the interaction between
radiation and matter is so weak that the number of
photons is not appreciably reduced over a length of
path At large enough to contain a statistically significant number of atomic diameters. This condition is
always fulfilled in the case of X-rays in the wavelength
region of principal interest to crystallographers. For
absorption in inhomogeneous samples, e.g. powder
specimens, see Section 3.2.4. For single crystals see
Section 3.2.1.2.
With X-rays p is strongly dependent on the wavelength of the radiation and on the nature of the
absorber. For a given A, the value of p is characteristic of the absorbing material in its specific physical
state or phase condition.
Since the reduction of intensity is determined by the
quantity of matter traversed by the primary beam, the
absorber thickness is often expressed on a mass basis,
in gm per square cm, and consequently the mass
/*=
2 M*
(6)
where n is the number of molecules in the unit cell

with volume Vc and the summation is over all the
atoms in one molecule only.
Values for p/p and p a of the elements are given in
Tables 3.2.2A, E and B. In the next section (3.2.1.2)
possible deviations
from the
additivity laws (3)
and
(5) are discussed.
3.2.1.2.
True Absorption, Scattering and
Extinction
Theoretical treatment of the various processes which
cause intensity loss of X-rays passing through matter
may be found in e.g. [16] [11] [27] [29] [35] [52]. In
the following, only the main features of the processes
most important in the wavelength range used in
crystallography are mentioned [16] [24] [25].
With wavelengths of the order of 1 A, the interaction between the electromagnetic field and the atom
157
ABSORPTION
3.2.
affects practically exclusively the electronic
Two main
system of
must be distinguished:
(i) "True" or photoelectric absorption.
The X-ray
photon disappears completely; the absorbed radiation
is used for ejection of a lower-level electron from the
atom, the photo-electron carrying away any excess
energy in the form of kinetic energy. Excitation of the
the latter.
electron to a higher
place.
The
of r at the
quantum
may
level
is
its
Scattering.
also take
is
deflected
is
by
collision with
structure
main
is
Similarly, for
then given by
(7)
one atom:
(8)
/â = T a + a
The dependence of t and a on X-ray wavelength and
on the atomic number of the atom engaged in the
collision process will
been found, which also depend on chemical constitu-
now
and the "jump
ratios" between the
not indicated in Fig. 3.2.1 because the
is
fluctuations occur within a range of a few tens
additivity rules (3) and (5). Further away from the

absorption edge, fluctuations of a few percent in jx have
be discussed.
True absorption coefficient. Since an electron can
only be ejected from an inner shell if the quantum hv
of the incident photon exceeds the energy needed to
jump to the nearest unoccupied level, t varies discontinuously with wavelength (Fig. 3.2.1). Probability of ejection is largest for quanta just sufficient for
the process; it is small for a photon of energy very
much in excess of that of the absorption edge. The
distances in A between the successive main absorption
edges K, L, M, etc., increase with increasing quantum
number of the level [14] [40]. The true absorption
coefficient changes rapidly with the atomic number of
the absorber.
Moreover, with increasing atomic
number the absorption edges shift to shorter wavelengths,
main absorpjumps to
a fine structure due to
of eV whereas the absorption edges of interest in

X-ray crystallography are of the order of 10 keV: the
corresponding wavelength range is therefore very
narrow, of the order of a few 10 -3 A. The fine structure depends on the condition of chemical binding and
on the temperature, and this gives deviations from the
the assumption that other losses are negligible,
fi = r+a
is
higher unoccupied levels, converging to the continuum of free electron levels [19] [22] [50]. This fine
from
an electron or atom,
the total linear absorption coefficient
the short-wavelength side of each
tion edge there
the total linear scattering coefficient.
On
negligible.
At
also sometimes
is
excited
the incident
release part of its

emission of secondary, characteristic radiation (X-ray
fluorescence). Since this is emitted as a spherical wave,
its contribution to the intensity of the primary beam
original direction of propagation, with or without
loss of energy,
o-
The X-ray ph6ton
The
[18] [28].
photon
extra potential energy by
may
called the "fluorescence" absorption coefficient.

(ii)
absorption wavelength, in particular
show a decrease
atom or ion which has absorbed
linear photoelectric absorption coefficient
r corresponding to these processes
critical
K edge,
at the
effects
In addition, the position of the main

absorption edge itself varies slightly with chemical
binding [20]. Anomalous values of /n can thus be
expected for wavelengths very near to an absorption
edge of one of the constituent atoms of the absorber.
Scattering coefficient. There are two kinds of scattering processes, incoherent or Compton scattering,
and coherent or Rayleigh scattering.
tion, etc. [23].
Compton
bound
from colliphoton and a comparatively loosely-
scattering (Section 3.4) arises
sion between a
Part of the collision energy
electron.
scattered
photon
is
is
trans-
and the wavelength of the
ferred to the electron,
accordingly modified.
No
inter-
ference takes place between radiation scattered by

different electrons of the material system (addition of
intensities). Compton scattering, however, does de-
two values
pend on the wave-functions of individual electrons

(Section 3.4) which for valence electrons depend on
the chemical binding.
Nevertheless,
it
may
be seen
that for not too long wavelengths the additivity relations (3)
and
(5)
tion, as far as
must hold
Compton
to a very
scattering
good approximaconcerned. For
is
very short wavelengths, the atomic Compton crosssection is roughly proportional to Z. It changes much
more slowly with A than either the photoelectric or the
Fig. 3.2.1.
Rayleigh cross-section.
If the scattering process is considered as resulting
from mechanical collision between a photon and an
atom, then Rayleigh scattering arises from a collision
between the photon and the atom as a whole. Since
the effective photon mass is completely negligible
compared with that of the atom, the elastically scattered photon carries away all its initial energy so that
the wavelength is "unmodified." The atomic Rayleigh
cross-section decreases with decreasing A. Anomalies
Diagrammatic representation of the varia-
tion of the true absorption coefficient t with wavelength
of the absorbed radiation,

absorption edges.
showing K, L,
158
ABSORPTION
3.2.
occur in the neighbourhood of absorption edges (see

Section 3.3.2). In these regions, however, the atomic
Rayleigh cross-section is in general small compared
with the photoelectric absorption cross-section, except
for the lightest elements. Rayleigh scattering by single
atoms increases monotonously with the atomic number, its cross-section being proportional to the square
of the atomic scattering factor /, integrated over all
scattering directions.
is
smaller.
However, except for the
lighter elements,
Rayleigh scattering gives but a minor contribution to

the total absorption, so that no large error is made in
using the "isotropic" value for a single crystal.
The "zero-order
reflection"
interferes
with
the
primary transmitted beam. This causes the index of

refraction to deviate from unity. In the wavelength
regions associated with anomalous scattering (Section
3.3.2) the refractive index becomes complex and its
imaginary part then constitutes an additional absorp-
However, since the photoelectric
absorption cross-section increases much more rapidly

with Z, Rayleigh scattering is relatively most important for large wavelengths and atoms with low Z.
Rayleigh scattering gives rise to the well-known
tion effect.
The
relative
importance of the various processes
which weaken the primary beam may be illustrated by

the following examples [25]. For an X-ray wavelength
of 1-24 A and carbon as absorber, the calculated total
scattering (Rayleigh +Compton) and photo-electric
X-ray interference effects, the scattering from the

various atoms combining coherently (vector addition
of amplitudes). Therefore, the scattered intensity in a
specific direction is in general far from additive, except
for a mono-atomic gas where all interference effects
cancel out. Nevertheless for isotropic materials (solid
or liquid) the additivity rules (3) and (5) can be expected to hold approximately for the total loss of
intensity by coherent scattering in all directions, if one
keeps to the phenomenological definition (4) for fi a
that is, derives it from the experimentally measured
\x\p of the element in the polycrystalline, liquid or
glassy state. For wavelengths short enough for interference effects to have nearly vanished at 0=90, this
fM a for the massive element will be approximately equal
to the (fj. a)i of an individual atom.
In a single crystal the situation is more complicated.
In a position in which no Bragg reflection occurs, the
total Rayleigh scattering is in general much less than
the sum of the intensities scattered by the individual,
isolated atoms: it is responsible for the background
atomic absorption cross-sections are roughly in the

ratio 2:11. For A=0-41 A the ratio has changed to
being reduced about 9-fold. For
4:1, the total
copper as absorber, the approximate ratios are 1 167
and 1 24, for A=l-24 and 0-41 A respectively, the
total absorption coefficient being reduced 20-fold for
/j.
the shorter wavelength.
Calculation of Absorption Coefficients

The most extensive theoretical calculations were
3.2.1.3.
carried out by Grodstein [25], for 24 elements
and a
range of wavelengths decreasing from 1 -24 A. In the
wavelength range from 1-24 to 0-41 A, deviations
between calculated and experimental mass absorption
coefficients are less than a few per cent for elements
with Z<30. These deviations increase with Z and
with A from a few per cent to over one hundred per
cent for
with 1 -24 A, the experimental values being
all deviations from crystal periodicity (see

Section 3.3.5). In a Bragg reflection position the
opposite holds because of the vector addition of the
due to
the higher ones.
Expressions for the photoelectric absorption
atomic scattering amplitudes a strong Bragg reflection

can carry away in one direction an amount of intensity
many
times the total
sum
coeffi-
cient have been given in several degrees of approxima-
tion [16] [25] [27] [29]. The expression used in [25] was
derived on the assumption of non-relativistic hydrogenlike wave-functions. This approach, though suitable
of the intensities scat-
by the individual atoms in any direction.

In a perfect, that is, in a perfectly monolithic, crystal
the situation is even more extreme because total reflec-
for ^-electrons, appears to break
tion can occur.
atoms with higher Z.
cient in a crystal
If interference effects are not taken into account,

then the differential Rayleigh cross-section takes the
simple form
tered
shells,
Since the Rayleigh scattering coeffiis thus neither additive nor independent of direction of the incident beam, texture of the
it is customary in X-ray crystallography
to take the influence of Bragg reflection on the primary
crystal, etc.,
dK oh
beam (and
consequentially on the diffracted beam

intensities) separately into account under the name
"extinction."* How this is to be done, both for primary
and secondary
extinction,
is
stated in Vol.
II,
dQ
where
Section
Strictly speaking, the
N
A
e*
c4
1+
cos 2 26
-z
Q is the solid angle,
[(sin0)/A] ....(9)
and /the atomic
scattering
Tables for diffraction by absorbing perfect crystals (Bragg

case) have been prepared by M. Renninger (to be published
elsewhere).
/j.
f In the literature the expression "attenuation" is sometimes

used for the total energy reduction of the primary beam, i.e.
absorption + extinction. Wherever these two effects have to be
\x.
!p]
absorption coefficient to
which the correction for extinction has to be applied
is the absorption coefficient for the single crystal in a
non-reflection position [42]. As stated above, this
is
in general less than that defined in (1) for an isotropic
medium, because the Rayleigh scattering for a crystal
5.4. t
down for L and

which might explain the lack of agreement for
distinguished, that is, particularly in the case of single crystals,

the use of the expression "attenuation coefficient" for n should
be avoided.
159
3.2.
To
factor, given in Section 3.3.
ABSORPTION
obtain the total cross-
tering particles.
Unless a proper account of this
section, (9) has to be integrated over the solid angle.

In a similar way, the Compton cross-section may be
small-angle scattering is taken (i.e. a certain amount

be included in the transmitted intensity), the value of
calculated by integrating over the solid angle the scat-
jit/p
Compton
found
may
be too high
[15] [21].
which expressions and

tables are given in Section 3.4. For the total loss by
Compton effect a term has to be added to account for
the energy transferred from the incident beam to the
The accuracy, probable error, standard deviation,

etc., given by the authors always bear in some way
upon the precision of the special method employed for
the measurement but do not give any satisfactory
recoil electron.
insight into the real accuracy,
has been found for very short wavelengths, where

photoelectric absorption is unimportant (A < about
0-04 A), that the Klein-Nishina expression [37] for the
scattering by free electrons can be used as a good
The uncertainties stated by the authors mostly

vary from about 2-5 %, but the differences between the
results of various authors may amount to about 10%,
even in cases where no disturbing effects from smallangle scattering may be expected. One author [21]
tered
intensity, for
approximation
the
to
total
(Compton +Rayleigh). This
scattering
coefficient
claims a standard deviation of
gives for the cross-section
per electron
3
m'c
where <x=hv /mc 2
or
+ 2a
(i)
1+
3c
(l+2a) 2 _"
The mass
of an element then becomes
vIp=Nok n .zia
VdKoc
0-587
Various collections of experimental data for mass

absorption coefficients have been made, of which the
best known and most extended is by Allen [l]-[7] [16]
[39]. Other fi/p compilations, important for the wavelength range 0-1-2-75 A, are given in [8]-[10] [16]
Mo
0-68
0-63
4-9
0-605
0-598
4-52
0-5351
0-50-0-61
Unfortunately not enough values for high-Z elements

have been published or are otherwise available to give
sufficiently comparable, reliable data.
As an example to illustrate the difficulties of obtaining reliable values for a low-Z element the special case
of the mass absorption coefficients of carbon may be
considered (see Table 3.2.1). The carbonaceous mate-
0-54( 2 )
0-64( 2 )
rial
[43]
[45]
0-560
0-548
0-64<
5>
consisted of natural graphite, artificial graphite,

single crystals, diamond powder, or paraffin,
Koc
1-542
0-551
0-36W
[41]
Cu
Koc
0-711
[47]-[49].
[34]
3.2.1
Experimental values of p./p (cm 2 /g) for carbon at three

wavelengths
Measurement of Absorption Coefficients
[31]
narrow
Variability of Experimentally Determined Values of p/p
The calculation is, of course, very much simpler

than that outlined above for Rayleigh and Compton
scattering coefficients. Values of NaK .^ for a range of
A are given in Table 3.2.2D and values of Z/A will be
found in Table 3.2.2E.
[26]
parallelism of the
3.2.1.1).
TABLE
scatter-
....(11)
521, [21]
See also [25]
(ii) Homogeneity and geometrical position of the

absorber of optimum thickness (optimum, that is,
with respect to the optimum I /I measurement,
detector and counting statistics [21]).
.(10)
[17] [30] [46].
lengths of crystallographic interest.
ing coefficient
Monochromatism and
X-ray beam used (Section
In default of some better estimate of the total scattering, it is often assumed, though without justification,
that the above approximation applies also to wave-
p.
< 1 %.
Important factors for accurate measurements are:
a/2(l + a)
+y\
ln(l + 2a)
t
+ ln(l + 2a)-
3.2.1.4.
into the systematic
[43].
ei
877
K-N
i.e.
errors.
It
[1] [2]
[3]
[16]
[7]
5-50
[36]
3>
[31]-[33]
4-52
4-87
<
References
3-84< 3 >
[26]
[8]
4-15W
5-56
[13]
4-33
[10]
4-17(6)
[44]
[13]
[53]
[15]
[47]
[12]
[49]
diamond
polystyrene [15] or acetic acid in water [49]. The

variations in the results may be partly due to differences in texture of the materials. In the case of
in homogeneous distribution of scattering power in the
sample, as in some graphites, the total amount of
small-angle scattering (Section 5.3) is determined by the
'
Diamond powder.
<
2>
Graphite powder.
<
3>
Diamond
crystal.
High-purity artificial graphite, paraffin and polystyrene (the

last two corrected for hydrogen content).
5) Acetic acid in water.
() Mean value of 23 measurements on 13 different diamonds
2
with spread of results from 3-95 to 4-54 cm /g<*)
degree of inhomogeneity and dimensions of the scat-
160
3.2.
ABSORPTION
For a satisfactory monochromatising and collimating system many devices have been designed
(Section 2.3). Use has been made of e.g. the balancedfilter
method
(Ross), filter-difference
to 2-750 A, using the values of coefficients
and
Table 3.2.2C, of crK .N given in Table 3.2.2D,

and Z\A in Table 3.2.2E.
Table 3.2.2E gives values of p-jp similarly derived,
but for the wavelength range A=0-30 (0-05) 2-75 A;
together with values of A/N by means of which corresponding p,a values can be obtained (see equation
3.2.1(4)). Except in the immediate neighbourhood of
absorption edges, this Table can be used to find the
absorption for wavelengths other than those shown in
Tables 3.2.2A and B. Values given in italics are of
doubtful reliability.
The values of the constants C and
given in
Table 3.2.2C have been derived as follows:
X<XK (Z=l to 58). Smooth curves with
1.
respect to Z have been fitted to the values of C,
derived by Victoreen [5]. This smoothing appears
to be necessary because Victoreen's values lead to
listed in
method (Section
2.3) [26] [38] [41] [45] [51] or two-crystal spectrometer
mostly in combination with Soller slit systems.

made in the nominal resolving
power: from R=500 [8] to 13,000 [21]. Foil-uniformity may be controlled by contact-radiographical
testing [21]. To eliminate uncertainties due to nonuniformity or granular nature the absorber can be
moved across the X-ray beam.
[21],
Progress has been
3.2.2. Calculated
Absorption Coefficients of the
Elements (Z= 1 to 83)

(For the meaning of symbols see Section 3.2.1)
Since neither theoretical calculations (Section 3.2. 1 .3)
nor experimental measurements (Section 3.2.1.4) of

absorption coefficients p. have been carried out for all
elements and for all wavelengths of interest in X-ray
crystallography, it is necessary to use an empirical
relation between /x, Z and A, so that missing data can
be computed. A much-used simple expression for the
total absorption coefficient of an element is
fjL= T
+a=C'Z m\ n +a (Z,
A)
2. AA: <A<A iI (Z=22 to 83). C,

curves, smooth
with respect to Z, have been chosen to give reasonable agreement with nearly all the observed data,
although least satisfactory for the few available
measurements for Z=52 to 62. The few values given
by Victoreen [5] for this range do not deviate
appreciably from these curves.
A iI <A<A iII
Experimental values in this
3.
A
< A < A mi Experimental values in this
4.
(1)
C,
and n are constants within wavelength

ranges not containing an absorption edge ([2] p. 533).
where
According to Walter
[7],
for
10- 26 Z 3 94A 3
Tfl =2-64x
Ta =8-52xl0- 28 Z 430A 3
(wavelengths in A)
\<\K
^*<A<A Z .:
:
"
A IIII <A<AA/I
(Z=53 to 83). Suitable values of

obtained by least-squares adjustment
from the empirical equation t//>=A 3 (C-Z)A), using
experimental values of p./p (corrected for ajp), with
graphical interpolation for the elements and wavelengths for which experimental data were not
5-
C and D were
These relations can be used for p., neglecting the

influence of a, for interpolation over small ranges of
and A (see Table 2.2.4 for A 3).
In cases where a is negligible with respect to true

absorption, plotting the logarithm of the experimental
value of ju versus log A reveals systematic deviations
from linearity, in the sense that the slope of the line
becomes smaller towards longer wavelengths. Expressions of the type (1) are therefore unsuitable for more
accurate estimations over a wide A-range.
The most
available.
fi/P
and Pu.
[3] for Th,
Rescaling of groups of C and D, as applicable to
paragraphs 1. to 5. above, by about
would
result in changes in p.\p large enough to cover most of
the available experimental data. The absorption-edge
wavelengths given in Table 3.3.2C are in units
kX/ 1-00202 and were calculated from the values in
5%
[4] [5] [6]
=CX 3 - Z>A 4 +aK N .AZ/^

.
Roof
satisfactory empirical relation at present
appears to be that given by Victoreen
Extrapolation beyond Z=83 was not justiabsence of sufficient experimental data.

few experimental values have been given by
6.
fiable in the
(2)
where aK.N
kX
is given by the expression 3.2.1(10), the

Klein-Nishina expression for the free-electron scattering cross-section. C and
are functions of Z, changing abruptly at the absorption edges.
The values of p,/p and of \ia given in Tables 3.2.2A
and B have been calculated from equation 3.2.2(2) for
characteristic Ka, Kfi wavelengths in the range A=0-479
given in
[1].
The
tables of absorption coefficients given in the

1935 (Vol. II) Internationale Tabellen zur Bestimmung
von Kristallstrukturen, although much more limited

than Tables 3.2.2A, B and E which follow, are in very
good agreement with experiment within the range
which they cover.
161
TABLE
Mass Absorption
Values given in
Target
Radiation
A (A)
Ag
Ka
Wx
KOL
0-5608 0-4970 0-586S
Koc
0-371
He
Li
0-195
0-187
Be
0-229
0-279
0-177
0-208
0-244
0-400
0-333
0-544
0-740
0-976
1-31
0-433
0-570
0-732
0-969
9
10
0-366
0-190
0-373
0-197
0-192
low accuracy
0-5205 0-6147 0-5456
0-368
0-192
0-181
0-375
Mo
KaL
Aft
/x/p
to 83) for a Selection of Wavelengths
Rh
Pd
Wi
(Z=l
are of
italics
Absorber
F
Ne
3.2.2A
Coefficients p/p of the Elements
Cu
Zn
Aft
0-7107 0-6323
KS
*P
1-4364
0-425
0-347
Ka
Aft
1-2952
1-5418
1-3922
0-435
0-421
0-571
1-15
3-44
(cm 2/g)
0-370
0-194
0-199
0-197
0-251
0-314
0-185
0-224
0-270
0-380
0-207
0-217
0-298
0-392
0-376
0-20C
0-258
0-611
1-25
0-414
0-306
0-492
0-959
0-327
1-97
1-49
0-383
0-716
1-50
2-39
'
0-20C
>
'
0-239
0-295
0-215
0-256
0-432
0-595
0-821
1-09
1-48
0-356
0-471
0-628
0-815
0-469
0-658
0-383
0-515
0-625
0-495
3-76
2-81
4-60
0-916
0-700
6-13
4-56
7-52
0-916
131
0-981
9-34
6-92
1-23
0-696
0-913
13-3
1-67
1-22
1-80
2-47
1-32
1-09
1-80
18-6
'
9-86
11-5
0-333
1-81
5-60
8-52
16-4
12-2
13-8
22-9
170
Na
11
1-67
1-22
1-89
1-38
2-15
1-56
3-21
18-1
301
22-3
12
2-12
1-54
2-40
1-74
2-73
1-97
4-11
2-32
2-96
24-5
Mg
31-4
23-2
38-6
28-7
Al
13
1-90
3-01
3-71
39-6
29-3
48-6
36-2
49-4
36-6
60-6
45-1
4-01
3-25
5-20
3-04
3-71
461
15
3-73
4-56
6-44
2-35
2-85
3-42
4-25
5-16
14
2-16
2-67
2-45
Si
2-65
3-28
7-89
5-64
60-5
44-8
74-1
55-2
S
CI
16
4-84
3-44
5-51
3-92
6-29
4-48
9-55
6-82
72-8
54-1
89-1
66-5
17
5-11
6-57
5-34
11-4
8-14
86-3
64-3
6-81
7-76
4-67
5-50
7-51
18
4-09
4-82
8-87
6-29
13-5
9-62
911
6-46
10-4
7-39
15-8
11-3
117
7-50
12-1
8-58
18-3
13-1
133
100
152
172
193
114
130
146
164
A
K
19
8-00
5-66
Ca
20
9-28
6-57
10-6
Sc
Ti
21
10-7
1-51
12-2
8-64
13-9
22
23
24
25
12-3
8-70
14-0
9-93
16-0
V
Cr
Mn
Fe
21-1
151
11-4
24-2
17-3
9-89
15-9
11-3
18-2
12-9
27-5
19-7
15-8
11-2
18-0
12-8
20-6
14-6
31-1
22-3
17-7
12-6
20-2
14-3
23-0
16-4
34-7
24-9
14-0
9-91
101
216
237
75-3
87-6
181
106
123
143
162
79-0
92-4
107
122
184
139
208
233
260
285
158
178
199
219
19-7
14-0
22-4
160
25-6
18-2
38-5
27-7
21-8
15-5
24-8
17-7
28-3
20-2
42-5
30-6
24-1
17-1
27-3
19-5
31-1
22-3
46-6
33-7
26-4
18-8
30-0
21-4
34-1
24-4
50-9
36-9
43-1
52-9
39-3
28-8
20-6
32-7
23-4
37-2
26-7
55-4
40-2
49-1
36-3
60-3
44-8
50-5
258
278
297
308
313
238
257
275
Cu
Zn
26
27
28
29
30
Ga
31
31-4
22-4
35-6
25-5
40-4
29-1
60-1
43-7
55-3
40-9
67-9
Ge
32
33
34
35
34-1
24-4
38-6
27-7
43-8
31-6
64-8
47-3
61-6
45-6
75-6
56-2
36-9
26-5
41-7
30-1
47-3
34-2
69-7
51-1
680
50-4
83-4
62-1
Co
Ni
As
Se
Br
Kr
198
214
230
246
39-8
28-6
45-0
32-4
50-9
36-9
74-7
54-9
74-6
55-3
91-4
68-1
42-7
30-8
48-3
34-9
54-6
39-7
79-8
58-8
81-3
60-4
99-6
74-4
45-8
33-1
51-7
37-5
58-3
42-5
84-9
62-8
88-2
65-6
108
48-9
35-4
55-1
40-1
62-2
45-5
900
66-9
95-4
71-0
52-1
37-8
58-6
42-8
660
95-0
70-9
55-3
40-3
62-1
45-5
69-9
48-4
51-5
58-5
42-8
65-6
48-3
73-7
54-5
15-9
117
125
134
143
Zr
36
37
38
39
40
Nb
41
61-7
45-3
69-1
510
77-4
57-5
17-1
82-9
Mo
42
43
44
45
64-8
47-8
72-5
53-8
81-1
60-5
18-4
13-1
67-9
50-3
75-8
56-5
13-0
63-5
19-7
14-1
126
134
142
10-7
52-8
12-2
59-2
13-9
66-4
21-1
15-1
151
107
114
11-5
55-2
13-1
61-8
14-9
10-6
22-6
16-2
161
121
Rb
Sr
Tc
Ru
Rh
45-7
162
100
76-6
75-0
103
110
82-3
79-0
118
88-2
94-3
101
153
162
172
183
194
80-7
87-3
940
101
108
115
123
131
139
148
TABLE
Mass Absorption
Target
Radiation
A (A)
Absorber
Pd 46
Ag 47
Coefficients \i\p
Ag
Koi
Wi
3.2.2A (continued)
Values given in
italics
Pd
Rh
Koi
0-5608 0-4970 0-5869
(Z=l
of the Elements
APi
Koi
are of low accuracy
Mo
Aft
0-5205 0-6147 0-5456
Koi
Cu
Zn
Aft
Koi
0-7107 0-6323 1-4364
*Pi
Koi
Aft
1-2952
1-5418
1-3922
2
nip (cm /g)
12-3
57-5
14-0
15-9
11-3
24-1
17-3
170
129
25-8
18-5
181
137
206
218
157
10-6
9-91
166
13-1
9-29
14-9
170
12-1
9-91
15-9
11-3
18-2
12-9
27-5
19-7
191
145
231
176
202
213
154
162
243
256
186
Sn
48
49
50
140
225
236
247
257
268
172
180
189
198
270
282
294
306
207
318
207
218
228
238
248
278
289
299
309
320
215
224
233
242
252
330
331
341
261
271
386
397
352
364
280
290
Cd
In
14-9
10-6
17-0
12-1
19-4
13-8
29-3
21-0
15-9
11-3
18-1
12-8
20-6
14-7
31-1
22-3
Sb
51
16-9
12-0
19-2
13-7
21-9
15-6
33-1
23-8
Te
52
17-9
12-7
20-4
14-5
23-3
16-6
35-0
25-2
19-0
13-5
21-6
15-4
24-6
17-6
37-1
26-7
Xe
53
54
201
14-3
22-9
16-3
261
18-6
39-2
28-2
Cs
55
21-3
15-1
24-2
17-2
27-5
19-7
41-3
29-8
Ba
La
Ce
22-5
160
25-5
18-2
29-1
20-8
43-5
31-4
23-7
16-9
26-9
19-2
30-6
21-9
45-8
33-2
25-0
17-8
28-4
20-3
32-3
23-1
48-2
34-9
Pr
56
57
58
59
26-3
18-8
29-9
21-4
34-0
24-4
50-7
36-7
Nd
60
27-7
19-8
31-4
22-5
35-7
25-7
53-2
38-6
Pm
61
29-1
20-8
33-1
23-7
37-6
40-6
62
63
64
65
30-6
21-9
34-7
24-9
39-5
27-0
28-4
55-9
Sm
58-6
42-6
Eu
Gd
Tb
Dy
Ho
32-2
23-0
36-5
26-2
41-4
29-8
61-5
44-8
33-8
24-2
38-3
27-5
43-5
31-3
64-4
47-0
35-5
25-4
40-2
28-9
45-6
32-9
67-5
49-2
301
37-2
312
322
26-6
42-1
30-3
47-8
34-5
70-6
51-6
390
27-9
44-1
31-7
500
36-1
73-9
54-0
40-8
29-3
46-2
33-3
52-4
37-9
77-3
56-6
42-8
30-7
48-4
34-9
54-9
39-7
80-8
59-2
U6
Yb
66
67
68
69
70
44-8
32-2
50-7
36-5
57-4
41-5
84-5
61-9
121
Lu
71
46-8
33-6
53-0
38-2
600
43-4
88-2
64-7
72
73
74
75
48-8
35-1
55-2
39-8
62-5
45-3
91-7
67-4
127
132
50-9
36-7
57-5
41-6
65-1
47-3
95-4
70-2
137
104
53-0
38-2
59-9
43-4
67-8
49-3
991
73-1
143
55-2
39-8
62-3
45-1
70-4
51-2
103
75-9
57-3
41-4
64-7
46-9
73-1
53-2
106
59-4
42-9
67-0
48-6
75-6
55-2
61-4
44-5
69-2
50-3
78-0
57-1
Au
Hg
76
77
78
79
80
63-1
45-8
71-0
51-8
80-0
58-7
64-7
47-1
72-7
53-2
81-8
60-2
110
113
115
117
Tl
81
66-2
48-4
74-3
54-6
83-5
61-7
Pb
82
83
67-7
49-8
75-9
56-1
85-0
63-2
69-1
51-1
77-1
57-4
86-1
64-6
Er
Tm
Hf
Ta
Re
Os
Ir
Pt
Bi
163
341
352
363
374
197
258
268
278
288
298
308
319
329
340
352
128
134
140
146
TIT
153
116
159
121
109
166
172
132
149
113
179
137
78-7
155
81-4
161
118
122
186
193
148
83-9
167
127
173
132
87-9
180
137
200
208
216
154
86-0
119
89-5
187
143
91-0
194
201
148
224
232
240
172
120
120
920
154
126
143
160
166
179
185
TABLE
Mass Absorption
Values given in
Target
Radiation
A (A)
3.2.2A {continued)
Coefficients p/p of the Elements
low accuracy
Mn
Fe
K5L
*ft
Koi
*ft
1-6591
1-5001
1-790:I
1-6208
0-443
Aft
1-7565
2-1031
Koi
1-9373
Absorber
Cr
Ti
Aa
Aft
Koi
Aj8 j
1-9102 2-2909
0-448
0-431
0-464
He
0-430
0-368
0-491
0-414
0-569
Li
0-851
0-673
1-03
0-804
Be
1-82
1-39
2-25
2-93
2-21
3-63
6
7
5-68
4-26
6-95
7-07
5-31
9-31
11-6
'
p/p (cm /g)

0-459
O-510
0-813
0-661
1-26
1-01
1-25
0-978
1-56
1-21
1-96
1-52
2-53
1-71
2-80
2-13
3-53
2-69
4-50
3-44
3-26
7-64
2-74
4-55
3-44
5-76
4-37
7-38
5-61
8-70
0-483
8-90
14-6
>
>
6-69
11-0
>
'
0-658
12-6
14-5
110
24-8
19-1
18-2
410
31-5
48-1
14-2
10-6
17-8
13-3
22-4
16-8
28-5
21-5
36-6
27-8
62-5
20-3
15-1
25-4
190
32-1
24-0
40-8
30-8
52-4
39-8
89-4
Ne
10
28-4
21-1
35-4
26-5
44-6
33-5
56-7
42-8
72-8
55-3
Na
11
37-3
27-8
46-5
34-8
58-6
44-0
74-4
56-2
Mg
12
47-7
35-6
59-5
44-6
74-8
56-3
94-8
71-8
121
Al
13
601
44-9
74-8
56-2
93-9
70-9
90-2
152
116
933
70-1
117
85-5
142
144
175
14
74-9
56-0
15
91-5
68-5
114
S
CI
16
82-4
136
103
170
97-6
161
122
17
110
130
18
151
114
187
142
19
175
132
164
Ca
20
198
150
215
243
186
200
232
266
299
Sc
Ti
21
223
252
282
314
343
170
193
273
308
343
381
210
237
266
296
336
377
419
463
414
323
V
Cr
Mn
Fe
Cu
Zn
26
27
28
29
30
Ga
Ge
As
Co
Ni
Se
Br
Kr
370
49-0
217
242
265
288
310
52-8
61-1
164
193
291
204
332
209
246
284
325
450
522
593
667
231
371
223
256
288
272
318
366
417
463
363
728
352
410
469
557
585
260
293
327
414
463
513
513
571
405
453
502
794
643
363
395
62-3
324
364
405
447
72-6
54-9
66-4
50-0
84-3
63-8
57-8
97-4
73-8
88-6
66-7
112
85-1
103
77-3
98-5
74-6
55-7
93
69-7
117
88-0
130
148
31
83-9
62-7
105
78-4
131
32
33
34
35
93-4
69-8
116
87-3
146
110
166
184
103
77-0
128
96-2
160
121
203
113
84-5
105
221
921
175
190
133
123
140
152
144
240
124
134
144
154
165
206
156
168
180
193
258
277
296
315
334
175
284
300
316
334
352
Zr
190
203
216
Nb
41
187
142
Mo
42
43
44
45
198
151
210
223
236
160
170
180
230
243
257
272
288
Ru
Rh
214
252
52-8
116
124
133
Tc
129
152
177
61-2
154
165
176
Sr
189
76-8
186
197
209
222
221
236
252
268
158
198
229
81-6
165
177
125
137
70-5
99-9
162
204
255
315
112
48-9
108
72-5
92-4
180
88-3
42-2
115
68-8
95-4
108
65-5
133
143
45-8
95-3
124
119
148
56-5
36
37
38
39
40
Rb
349
57-2
9-67
23-9
8-54
Si
5-88
14-0
>
18-6
11-3
22
23
24
25
0-595
0-501
0-674
0-48C
0-554
0-545
0-474
'
A
K
Aft
2-0848 2-7496 2-5138
are of
italics
Co
Ni
(Z=l
98-9
205
218
231
353
372
244
259
274
412
433
164
391
112
68-4
79-8
60-7
93-0
70-8
108
125
144
166
189
116
135
157
75-8
89-6
104
122
82-2
182
141
210
242
280
318
163
246
356
393
430
467
503
276
306
335
364
394
109
127
144
212
235
258
162
168
183
281
305
216
234
180
198
198
327
252
213
351
271
227
243
258
373
396
419
289
308
326
273
289
305
322
340
441
463
345
485
509
534
98-4
245
297
95-0
140
154
126
381
363
382
403
424
538
573
606
638
669
699
727
753
784
814
187
217
422
451
479
506
533
559
584
609
637
665
TABLE
Mass Absorption
Coefficients
/x//>
Values given in
Target
Radiation
A (A)
Absorber
Pd 46
Ag 47
Cd
Sn
48
49
50
Sb
51
In
Co
Ni
Koi
Koi
Aft
1-6591
1-5001
250
264
279
294
309
191
304
203
215
227
239
321
165
140
146
153
160
167
224
234
245
255
265
173
174
276
286
297
308
319
215
223
232
330
291
302
312
212
219
228
236
245
323
334
346
253
262
272
Dy
66
67
68
69
70
149
156
163
125
199
170
178
130
136
208
217
71
185
142
72
73
74
75
193
148
201
208
154
226
235
244
253
262
Au
Hg
76
77
78
79
80
225
233
241
250
259
180
187
194
201
Tl
81
Pb
82
83
268
278
288
209
216
224
Re
Os
Ir
Pt
Bi
216
156
182
191
160
167
173
559
578
594
609
621
214
141
Lu
Hf
Ta
688
707
173
65
457
474
490
505
518
157
Tb
364
375
386
570
589
606
620
632
165
63
64
342
353
373
389
172
182
193
203
Gd
331
446
468
492
514
536
428
463
475
486
497
Sm
Yb
2-2909 2-0848
559
586
613
638
662
546
557
309
320
Eu
Tm
Cr
Aft
358
377
398
417
436
370
382
394
405
416
263
275
286
298
448
Er
1-9102
Koi
455
478
502
525
547
472
490
506
521
534
391
407
422
436
450
62
Mo
2-1031
Aft
289
305
322
339
356
306
320
333
346
358
251
61
391
371
451
Pm
Pr
Aft
1-9373 1-7565
291
Nd
Ba
La
Ce
Mn
KSl
412
432
338
356
373
403
414
426
437
Cs
low accuracy
Ti
Koi
Aft
2-7496 2-5138
2
p/p (cm /g)
56
57
58
59
60
Xe
tfft
Koi
(Z=l
are of
235
248
262
277
52
53
54
55
italics
Fe
1-7902 1-6208
324
339
352
366
378
Te
3.2.2A (continued)
of the Elements
272
282
181
189
196
204
391
404
418
431
722
845
876
908
935
957
694
723
753
781
805
832
2l4
245
274
2T5
302
329
356
237
259
T83
381
196
405
302
322
206
268
284
299
314
329
209
222
234
247
259
429
452
473
495
516
344
359
373
387
401
271
283
314
326
216
226
236
246
256
536
555
574
592
610
433
450
466
483
499
338
350
363
375
388
266
276
287
297
308
416
430
444
458
473
628
645
662
679
696
575
532
547
563
579
401
319
330
353
365
377
259
269
278
288
298
406
419
432
446
712
729
745
761
777
595
611
628
644
660
389
402
415
309
319
330
460
474
489
794
810
827
677
694
444
456
468
479
531
542
188
201
341
181
190
198
206
241
250
165
214
227
240
252
265
277
289
301
176
186
196
202
219
236
252
441
353
455
364
487
502
517
532
547
469
483
498
377
389
402
563
579
596
414
427
341
295
307
319
331
343
355
368
380
393
281
342
361
379
397
415
712
TABLE
Atomic Absorption Coefficients
Values given in
Target
Radiation
A (A)
Ag
KOL
0-5608 0-4970
He
Li
Be
Mo
0-5869 0-5205
0-6147 0-5456
0-798
1-26
0-061
0-062
0-131
0-126
0-204
0-311
0-439
0-221
0-358
0-530
0-664
0-862>
1-01
1-39
0-063
0-132
0-227
0-375
0-564
0-062
0-129
0-213
0-335
0-485
0-770
1-10
1-67
2-57
0-936
1-53
0-763
1-20
1-85
Ka
0-7107 0-6323
xl0 23 (cm 2
0-062
0-127
0-208
0-322
0-460
Zn
KSl
Aft
/x a
0-062
0-129
0-215
0-343
0-501
Rh
KS.
Aft
Absorber
(Z= 1
are of low accuracy
italics
Pd
Kot
Aft
3.2.2B
of the Elements
/*
Cu
Aa
A|8
1-4364 1-2952
Aft
1-5418 1-3922
0-064
0-138
0-250
0-063
0-133
0-230
0-446
0-704
0-387
0-587
1-25
0-986
2-13
1-65
3-49
261
5-68
8-28
4-17
6-05
0-071
0-231
0-704
1-86
3-55
7-5C
>
0-069
0-203
0-567
0-073
0-255
0-825
1-43
2-68
2-24
1-72
4-29
3-24
5-61
9-17
0-070
0-221
0-658
6-87
10-6
17-5
13-0
24-8
18-4
30-5
22-6
42-1
31-1
51-8
38-4
62-4
46-1
76-7
56-9
93-4
69-1
115
93-8
156
116
14-3
1-97
1-51
2-18
3-08
2-31
Ne
10
4-40
3-25
3-45
4-95
Na
11
6-39
4-66
7-22
5-25
Mg
12
8-57
6-20
9-71
7-01
11-0
Al
13
11-9
966
15-3
11-0
23-1
16-6
177
131
Si
14
15-3
11-0
17-4
12-4
19-8
14-2
30-0
21-5
230
171
218
283
211
15
20-6
14-7
23-4
16-7
26-7
19-1
40-6
290
311
231
381
284
S
CI
16
25-8
18-3
29-3
20-9
33-5
36-3
24-1
38-7
27-5
44-2
67-1
47-9
18
45-2
32-0
51-5
36-5
58-8
41-7
89:3
63-8
19
51-9
36-8
59-1
41-9
67-5
48-0
102
73-2
Ca
20
61-7
43-7
70-3
49-9
80-3
57-1
122
87-0
387
508
669
760
887
288
378
500
568
666
474
34-0
23-8
31-4
50-8
17
354
465
613
696
814
Sc
Ti
21
79-8
56-5
90-9
64-5
104
73-8
157
113
22
23
24
25
97-8
69-2
79-0
127
90-4
192
138
95-6
154
109
126
149
233
268
316
167
192
1130
1370
1640
1860
227
2160
852
1030
1240
1420
1650
169
357
416
454
537
602
257
300
328
389
437
2390
2720
2900
454
1830
2090
2240
2600
533
394
337
695
640
742
845
977
1080
473
550
626
725
802
1040
1200
1320
584
678
772
893
987
A
K
V
Cr
Mn
Fe
Co
Ni
Cu
Zn
26
27
28
29
30
Ga
Ge
31
As
33
Se
34
35
Br
Kr
Rb
Sr
32
36
37
38
39
Zr
40
Nb
41
Mo
42
43
44
45
Tc
Ru
Rh
8-52
13-5
111
3-64
2-43
3-88
5-59
2-88
8-19
5-94
12-2
7-96
16-6
4-10
8-85
11-9
127
621
817
925
1080
1370
1650
1970
85-3
162
1040
1260
1500
1720
1990
118
83-8
135
137
162
96-8
110
177
115
156
184
131
210
208
243
266
316
355
148
190
226
254
237
277
303
360
404
295
334
374
425
463
468
528
588
667
724
381
781
425
484
526
867
980
1060
506
570
635
719
780
521
812
882
960
1030
1120
592
645
705
760
825
1180
1280
1380
1480
241
874
949
1030
1110
1200
1230
1350
1490
1630
1780
913
1010
1110
1210
1340
1500
1650
1820
1980
2170
1120
1240
1370
1490
1640
1190
1290
887
964
1040
1110
181
1280
209
231
253
276
1940
2130
2340
2540
2740
1450
1600
1760
1910
2070
2360
2590
2830
3070
3320
1780
1960
214
234
255
264
293
324
354
386
183
130
214
234
278
152
198
313
223
363
411
458
521
567
260
294
329
375
409
412
465
637
694
757
816
885
460
719
782
852
917
993
951
1030
1120
180
196
167
503
551
595
648
698
761
826
886
943
519
589
640
1070
1150
1250
205
223
173
569
622
672
731
787
856
928
993
1060
198
217
258
290
166
2240
2600
2860
3240
445
558
655
785
911
2210
2520
2690
415
487
2140
2330
2520
TABLE
/*
of the Elements
Values given in
Target
Radiation
A (A)
Absorber
46
Ag 47
Cd 48
In
49
Sn
50
Pd
Sb
51
Te
Cs
52
53
54
55
Ba
La
Ce
57
58
Pr
59
Nd
Xe
Ag
K6i
Aft
0-5608 0-4970
Aft
0-5869 0-5205
284
313
222
342
380
242
269
284
261
400
438
469
247
267
297
324
356
311
389
432
455
499
333
533
KS.
2770
2980
3290
3550
3870
912
3470
3820
3980
4310
4560
5450-
562
615
658
4550
5000
5200
5610
5910
5980
6200
6680
7020
4190
4610
4800
5180
5470
538
570
614
993
1060
1120
1190
1280
717
764
812
860
925
6340
6650
6960
7240
7660
4910
5170
5430
5670
6020
7510
7860
8190
8500
8970
5880
6170
6460
6730
7140
650
708
752
817
867
1350
1460
1550
1680
1780
977
1060
1130
1230
1300
7960
8520
8890
9490
6280
6750
7070
7580
7940
9280
9900
761
904
985
1050
1130
1200
7420
7960
8310
8890
9280
817
869
924
978
1050
1290
1370
1460
1540
1650
930
989
1050
1110
1190
1910
2020
2150
2270
2430
1390
1480
1570
1660
1780
1740
1850
1960
1260
1340
1420
1500
1580
2560
2720
2870
3030
3180
1680
1760
1850
1920
368
400
440
668
742
480
534
370
406
434
781
663
707
751
795
856
474
506
230
253
276
307
324
355
380
443
493
519
568
608
316
415
443
471
500
539
570
501
764
812
882
935
546
580
631
670
1000
1070
1130
1200
1290
719
765
813
Yb
66
67
68
69
70
924
1140
1210
1280
1360
1460
Lu
71
Hf
72
73
74
75
1360
1450
1530
1620
1710
977
1040
1100
1170
1230
1540
1640
1730
1830
1930
1110
1180
1250
1320
1390
2070
2180
1810
1890
1990
2060
2150
1310
1370
1440
1500
1570
2040
2140
2240
2320
2420
1480
1550
1630
1700
1770
2310
2410
2530
2620
2720
2250
2330
2400
1640
1710
1770
2520
2610
2680
1850
1930
1990
2830
2920
2990
Dy
Ho
Er
Tm
Ta
Re
Os
Ir
Pt
Au
Hg
76
77
78
79
80
Tl
81
Pb
82
83
Bi
861
Aft
1-5418 1-3922
3640
3900
4300
4640
5050
701
Tb
1-2952
A<%
2280
2450
2710
2930
3200
62
63
64
65
Gd
Aft
xl0 23 (cm2)
331
61
796
867
920
1000
1060
0-6323 1-4364
305
Sm
660
699
753
K*
3010
3240
3570
3860
4200
190
211
Pm
581
582
621
Cu
Zn
Aft
461
513
558
613
200
217
60
512
546
Aa
426
282
305
339
369
406
175
616
663
Eu
Mo
Aft
0-6147 0-5456 0-7107
364
389
414
439
473
56
are of low accuracy
italics
/x a
1020
166
185
201
217
235
(Z=l
Rh
Pd
Aa
3.2.2B {continued)
621
660
717
241
263
289
351
853
8400
8820
3250
3480
3510
3720
3930
4210
3200
2000
2110
2230
2350
3680
3910
4130
4370
4600
3130
3310
3500
4440
4720
4980
5260
5540
3380
3600
3800
4020
4240
2010
3360
3500
3660
3770
3900
2480
2600
2720
2810
2930
4890
5130
5410
5670
5990
3720
3910
4120
4330
4580
5870
616Q
6490
6800
7180
4500
4730
4990
5230
5530
2090
2170
2240
4030
4120
4160
3040
3130
3190
6330
6660
6970
4840
5100
5340
7590
7970
8330
.5840
6150
6430
167
1880
TABLE
Atomic Absorption
Coefficients
pa
Values given in
Target
Radiation
A (A)
KB
italics
Co
Ni
Kcl
3.2.2B (continued)
of the Elements
He
Mn
Fe
KB !
K6t
KB x
Ka
1-7565
2-1031
1-6591
1-5001
1-7902
1-6208
1-9373
0-075
0-286
0-072
0-245
0-775
0-078
0-326
1-18
0-074
0-275
0-081
2-09
3-97
336
ftx
0-980
2-73
5-26
Koc
Absorber
(Z=l
are of low accuracy
0-378
1-44
10 23
0-077
0-315
0-085
0-448
Li
11-3
14-1
10-6
17-7
13-3
22-5
21-6
16-2
27-0
20-2
34-0
25-6
43-3
59-4
44-6
8-48
6-52
4-18
8-16
37-8
28-1
47-2
35-3
F
Ne
64-2
47-8
80-2
59-9
101
10
95-0
70-8
88-8
150
Na
11
142
Mg
12
193
Al
13
Si
14
15
269
349
470
S
CI
16
18
19
Ca
20
Sc
Ti
178
133
240
180
224
302
201
335
261
352
435
585
252
327
440
585
764
1000
1130
1320
439
575
756
857
1000
725
946
1240
1400
1610
547
715
21
1670
22
23
24
25
2010
2390
2710
3130
1270
1540
1830
2090
2420
2040
2450
2910
3290
3770
3430
480
2670
3030
551
691
411
Cu
Zn
26
27
28
29
30
810
604
Ga
31
971
725
Ge
32
33
34
35
1130
1280
1480
1630
841
V
Cr
Mn
Fe
Co
Ni
As
Se
Br
Kr
17
36
37
38
39
Zr
40
Rb
Sr
Nb
41
Mo
42
43
44
45
Tc
Ru
Rh
1850
2030
2240
2430
2660
2880
3160
3450
3740
4030
106
144
119
515
958
1110
1220
490
598
687
861
1010
1210
1400
1590
1840
2020
Kd
1-9102
2-2909
0-080
0-368
0-091
1-13
1-79
1-39
3-19
6-18
5-28
4-02
75-9
10-3
75-6
129
7-84
2-92
8-80
38-0
73-2
57-0
97-0
97-2
73-7
165
125
112
190
143
244
185
364
489
680
879
1180
277
1450
1870
1110
1450
1880
940
1060
1230
1570
1890
2250
2550
2510
3000
3540
4000
2950
522
2330
2770
3130
3600
3240
448
616
752
863
1080
1270
463
566
650
815
955
781
591
953
1090
1370
1610
1520
1760
1990
1920
2300
2530
1150
1330
1510
1740
1920
1940
2160
2470
3090
3680
4340
11-4
95-3
1140
1480
1930
4380
4780
5190
5610
6020
3-75
1-75
5-15
49-5
687
897
1180
1320
1530
2700
2960
3240
3510
3790
0-100
0-672
42-2
907
1180
1540
1730
1990
3540
3870
4220
4570
4910
0-110
0-838
22-C
703
2190
2400
2630
2850
3080
0-085
0-439
55-7
924
2010
0-540
2-26
6-73
29-0
421
545
732
2100
2280
2490
2-5138
17-0
215
290
404
524
2860
3140
3440
3720
4060
2-7496
32-7
383
533
690
1730
1900
KB,
2-0848
22-6
284
908
1050
1200
1380
1520
Kd
10-1
168
515
645
757
Ti
KB
13-3
227
317
412
554
2290
2520
2770
3000
3280
1390
1530
1690
1840
Cr
KB i
(cm 2 )
Be
0-927
2-56
4-93
871
1130
1480
1660
1920
2420
2890
3420
3860
2430
2700
3080
3830
4540
373
519
673
902
2110
2410
17-4
166
128
282
415
217
320
617
825
1140
1470
1960
476
639
885
1140
1530
2390
3070
3930
4330
4840
2410
3110
3440
3890
1870
689
848
3020
3610
4250
524
645
722
829
1040
1220
1000
1220
1400
1750
2050
762
930
1070
1340
1570
2060
2360
2950
3450
2290
2670
2220
2520
2900
3180
1460
1690
1920
2210
2430
2450
2830
3210
3690
4040
1870
2170
2460
2830
3110
4120
4740
5350
6120
6680
3200
3680
4160
4780
5220
2170
2390
2620
2850
3110
3600
3940
4310
4650
5060
2750
3020
3310
3580
3910
4560
4980"
5430
5850
6340
3510
3840
4210
4540
4940
7490
8130
8810
9420
10100
5870
6400
6960
7470
8070
3360
3680
4020
4340
4680
5440
5920
6420
6910
7400
4220
4600
5010
5410
5810
6800
7370
7970
8550
9120
5320
5790
6280
6760
7240
10800
11600
12400
13200
13900
8620
9310
10000
10700
11400
168
538
662
501
578
5930
783
982
1170
1440
1690
4800
603
757
902
1110
1310
1590
1830
TABLE
/xa
Values given in
Absorber
Pd 46
Ae
Cd
In
Sn
Sb
Te
51
53
Xe
54
55
Cs
Ba
La
Ce
52
*0i
Wr
1-6208
1-9373
1-7565
2-1031
4410
4720
5200
5600
6080
3380
3630
4000
4320
4700
5370
5740
6310
6780
7350
4150
4450
4900
5270
5730
6560
7000
7680
8230
8890
5110
5470
6020
6460
7010
8040
8560
9370
10000
10800
6330
6760
7420
7950
8600
9880
10500
11400
12200
13100
7870
8380
9170
9800
10600
6550
7170
7420
7970
8350
5080
5580
5790
6240
6570
7900
8620
8900
9510
9930
6180
6770
7010
7540
7900
9540
10400
10700
11400
11800
7540
8240
8510
9110
9510
11500
12500
12800
13500
13900
9230
10000
10300
77000
77400
13900
15000
15200
11300
12200
12500
13300
13700
4510
5330
6040
4730
7040
7370
7690
7990
8440
10500
10900
11300
11600
8440
8810
9160
9480
9970
12500
12900
10100
10500
10900
11200
4660
5100
5520
6040
4280
4700
6890
7600
8270
8910
9710
5410
5980
6540
7060
7710
8750
9350
9740
10300
4130
4550
4870
5310
5640
Pm
61
10800
Sm
62
63
64
65
3730
3940
4300
4580
66
67
68
69
70
4010
4270
4530
4780
5110
3460
3660
3910
4910
5220
5530
5830
6230
3770
4010
4260
4490
4800
Lu
71
Hf
72
4130
4390
4630
4900
5160
6550
6950
7320
7720
8110
Er
Yb
Wi
K5l
1-7902
60
Tm
Ti
Wi
Nd
Dv
Ho
Cr
1-5001
Pr
Tb
Mn
K5.
8910
9280
9640
9960
10500
Gd
Wavelengths
1-6591
56
57
58
59
Eu
to 83) for a Selection of
low accuracy
K5.
K5L
/x a
47
48
49
50
(Z=l
are of
italics
Fe
Co
Ni
Target
Radiation
A (A)
3.2.2B {continued)
of the Elements
KS.
APi
Koi
Aft
1-9102
2-2909
2-0848
2-7496 2-5138
14900
15700
16900
17800
18900
xl0 23 (cm 2 )
12100
12500
4390
4810
12300
12900
14100
14900
15900
16800
4090
4350
5150
5670
6040
6590
6980
4380
4690
5110
5430
6460
7090
7550
8210
8690
5030
5540
5910
6440
6830
10300
11300
11900
12900
13600
8220
9000
9560
10400
11000
6040
6420
6790
7150
7620
4670
4970
5270
5550
5930
7470
7920
8370
8800
9360
5830
6190
6550
6900
7350
9280
9820
10400
10900
11500
7310
7750
8190
8610
9160
14400
15200
15900
16600
17500
11700
12300
13000
13500
14300
5060
5380
5670
5990
6300
8010
8480
8920
9390
9850
6240
6620
6970
7350
7730
9820
10400
10900
11500
12000
7730
8190
8610
9070
9520
12100
12700
13300
14000
14600
9610
10200
10700
11200
11700
18200
19100
19900
20700
21500
15000
15800
16400
17200
17900
Ta
73
Re
74
75
5380
5710
6020
6360
6690
Au
Hg
76
77
78
79
80
7090
7430
7820
8180
8630
5470
5740
6050
6340
6700
8580
8980
9440
9870
10400
6680
7000
7370
7720
8140
10400
10900
11400
11900
12500
8180
8570
9010
9420
9930
12700
13200
13800
14400
15100
10100
10500
11000
11500
12100
15400
16000
16700
17400
18200
12400
12900
13600
14100
14800
22500
23200
24100
24900
25900
18800
19500
20300
21100
22000
Tl
81
Pb
82
83
9110
9560
9980
7080
7440
7780
11000
11500
12000
8600
9030
9430
13200
13800
14400
10500
11000
11500
15900
16600
17300
12800
13400
13900
19100
19900
20700
15600
16300
17000
26900
27900
28700
23000
23900
24700
Os
Ir
Pt
Bi
169
TABLE
3.2.2C
Values of Constants used for Computation of r\p for Absorber

are
D in equation 3.2.2(2), between specified wavelength limits, as used for computing
given
C,
values
The
Tables 3.2.2A, B and E. Suffix 1 applies for A<A^ a&s 2 for A JC <A<A iI 5 for A LIII <A<AAfI
All A are in units kX/ 1-00202. Numbers given in italics are of low accuracy.
0-0127
0-0514
0-150
0-365
0-609
0-466. 10~ h
He
Li
Be
1-22
0-0142
2-05
3-18
N
O
4-60
6-51
0-206
Na
11
8-67
Mg
12
11-3
Al
13
14-4
0-330
0-539
0-803
Si
14
18-2
1-10
15
22-6
1-55
S
CI
16
27-6
2-18
17
33-4
3-03
18
400
4-18
19
47-4
5-59
Ca
20
55-8
7-56
Sc
21
65-2
Ti
22
23
24
25
75-6
12-3
86-9
15-1
990
Co
Ni
Cu
Zn
Ga
Ge
As
Se
Br
Kr
0-153
18-2
7-24
0-203
0-268
112
22-3
1-896
8-51
0-344
26
27
28
29
30
126
27-2
1-743
9-95
0-433
141
33-2
1-608
11-6
158
40-1
1-488
13-4
176
195
48-3
1-380
15-6
57-7
1-283
17-8
0-535
0-651
0-779
0-937
31
216
238
262
287
314
68-6
1-196
20-2
113
81-1
1-117
22-7
1-37
95-4
1-045
25-3
1-67
0-980
0-920
28-0
2-02
30-9
2-43
0-8655
0-8155
0-7697
0-7276
0-6888
33-9
2-92
Nb
41
Mo
42
43
44
45
Tc
Ru
Rh
2-757
2-497
5-15
Zr
Sr
5-0182
4-3969
3-8707
3-4364
3-0702
6-14
36
37
38
39
40
Rb
9-81
9-5117
7-9511
6-7446
5-7886
2-269
2-070
32
33
34
35
A LI
0-00451
Fe
D,
2-13. 10-*
10
Mn
C,
7-52. 10- 5
F
Ne
Cr
^Kabs
0-494. 10-*
0-0317
0-0654
0-112
112
130
343
374
151
406
441
200
229
477
261
515
555
597
641
686
296
336
379
427
479
174
37-1
3-48
40-5
4-14
44-1
4-88
47-9
5-72
0-6529
0-6198
51-9
6-67
56-2
7-73
(0-5891)
60-7
0-560
0-534
171
8-91
65-5
10-1
70-5
11-4
3-6259
TABLE
3.2.2C {continued)
Values of Constants used for Computation of rfp for Absorber

The values given are C, D in equation 3.2.2(2), between specified wavelength limits, as used for computing
Tables 3.2.2A, B and E. The suffix 1 applies for \<\Kabs 2 for \ <X<X
K
L1 5 for A in <A<A MI
',
Pd
Ag
Cd
In
Sn
Sb
Te
I
Xe
Cs
Ba
La
Ce
Cx
46
47
48
49
50
734
784
835
889
944
537
599
667
741
51
52
53
54
55
Pr
56
57
58
59
Nd
60
D<
^Kabs
821
0-509
0-486
0-464
0-444
0-425
100
19-7
1000
1060
1120
1180
1250
908
1000
1100
1210
1330
0-4066
0-3897
0-3738
0-3585
0-3447
107
114
122
130
139
21-8
1310
1380
1450
1460
1590
1740
0-3314
0-3184
0-3065
147
157
75-8
12-8
3-4275
81-4
14-3
3-25
87-4
15-9
93-6
17-7
3-0845
2-9257
2-7771
24-3
27-1
30-2
33-6
37-3
41-3
2-6394
2-5105
2-3887
2-2737
2-1672
2-0677
1-9729
1-8894
166
176
45-6
50-2
1-8108
187
55-1
1-7352
Pm
61
198
60-3
(1-664)
Sm
62
63
64
65
210
222
234
247
65-8
1-5986
71-6
1-5364
Yb
66
67
68
69
70
Lu
71
Hf
72
73
74
75
337
354
372
390
409
76
77
78
79
80
429
449
470
492
514
202
219
240
265
Tl
81
Pb
82
Bi
83
540
570
605
Eu
Gd
Tb
Dy
Ho
Er
Tm
Ta
Re
Os
Ir
Pt
Au
Hg
77-7
1-4770
84-1
1-4210
261
90-8
1-365
275
290
305
98-0
321
172
1-3173
105
1-2680
113
121
1-1818
1-2221
130
140
150
1-0996
161
1-0245
173
0-9895
187
0-9557
0-9230.
0-8932
0-8633
0-8353
295
333
382
1-1401
1-0609
0-8080
0-7815
0-7568
TABLE
3.2.2C (continued)
Values of Constants used for Computation of r/p for Absorber
values given are C, D in equation 3.2.2(2), between specified wavelength limits, as used for computing
Tables 3.2.2A, B and E. The suffix 1 applies for \<\Kabs 2 for X K <X<X L1 5 for A iIII <A<AAfI
The
Pd
Sn
46
47
48
49
50
Sb
51
Te
52
53
54
55
Ag
Cd
In
Xe
Cs
2-8297
2-6874
2-5526
2-4290
2-3138
2-8554
2-7194
2-5924
2-4739
12-4
0-761
14-7
1-06
17-0
1-38
2-3628
19-2
1-72
21-5
2-07
1-8428
2-2582
2-1639
2-0770
1-9947
61
(1-770)
(1-917)
30-7
3-67
62
63
64
65
1-7025
1-8445
33-1
4-12
1-6261
1-7753
35-4
4-61
1-5612
1-7094
37-8
511
1-5011
1-6486
40-3
5-64
1-438
Yb
66
67
68
69
70
Lu
Hf
2-2044
2-1031
2-0108
1-9240
Nd
56
57
58
59
60
Pm
Sm
Ba
La
Ce
Pr
Eu
Gd
Tb
Dy
Ho
Er
Tm
Ta
Re
Os
Ir
Pt
Au
Hg
2-44
2-83
28-4
3-24
(1-579)
42-8
6-20
1-3897
1-5353
45-4
6-79
1-3383
1-4822
48-0
7-41
1-2875
1-4328
50-7
8-06
1-2427
1-3861
53-4
8-75
71
1-1984
1-3414
56-2
72
73
74
75
1-1547
1-2971
59-2
10-2
1-1136
1-2551
62-2
11-0
1-0746
1-2154
65-3
11-9
1-0368
1-1770
68-4
12-7
76
77
78
79
80
Tl
81
Pb
82
83
Bi
23-8
26-1
9-47
4-374
4-045
1-0010
1-1404
71-8
13-6
0-96693
0-93419
0-90254
0-8721
1-1056
75-2
14-6
1-0724
78-7
15-6
3-610
1-0399
82-3
16-6
3-750
1-0090
86-1
17-7
0-84335
0-81507
0-78869
0-9793
90-0
18-9
0-9503
0-9234
94-1
20-0
3-226
98-3
21-3
3-106
173
ABSORPTION
3.2.
TABLE
3.2.2D
Values of Klein-Nishina Factor used for Computation

of a/p
k-n as a function of A (equations 3.2.1(11) and
ct
3.2.2(2)).
W=Avogadro number.
K _ N =scattering
<r
to Klein
coefficient of free electron according
and Nishina.
A(A)
K_ N (cm
JV<7
A(A)
JVa K. N(cm2)
0-20
0-329
1-50
0-30
1-60
0-392
0-40
0-350
0-361
1-70
0-393
0-50
0-368
1-80
0-60
0-374
1-90
0-70
0-378
2-00
0-80
0-381
2-10
0-90
0-383
2-20
1-00
2-30
1-10
0-385
0-386
1-20
0-388
2-50
1-30
0-389
2-60
1-40
0-390
2-70
0-394
0-394
0-394
0-395
0-395
0-395
0-395
0-396
0-396
0-396
2-40
174
0-391
TABLE
Mass
3.2.2E
Absorption Coefficients n/p of the Elements (Z=l to 83) for the Range of Wavelengths 0-30 (005) 2*75 A,
with values of Z/A and AjN
fj.jp
is
Absorber
given to 3 figures
Z/A
values in
italics
(,4/AOxlO 24
are of low accuracy.
A=0-30
Lines indicate absorption edges.
0-35
0-40
0-45
0-9921
1-673
0-348
0.353
0-359
0-363
He
0-4996
6-645
0-176
0-180
0-184
0-187
Li
0-4323
11-52
0-155
0-160
0-166
0-171
Be
0-4438
14-96
0-165
0-173
0-183
0-195
17-96
0-178
0-190
0-206
0-224
0-4621
0-4995
19-94
0-208
0-230
0-258
0-293
0-4997
23-25
0-230
0-265
0-311
0-367
0-382
0-469
O
F
0-5000
26-56
0-260
0-313
0-289
0-348
0-364
0-463
0-587
0-452
0-590
0-765
0-951
0-4737
31-54
Ne
10
0-4955
33-50
Na
11
0-4784
38-17
0-399
0-537
0-719
Mg
12
0-4934
40-37
0-473
0-652
0-888
1-19
Al
13
0-4818
44-79
0-552
0-779
1-08
1-46
Si
14
0-4984
46-63
0-657
0-941
1-32
1-79
1-12
1-58
2-17
2-61
15
0-4843
51-42
0-766
16
0-4990
53-23
0-903
1-33
1-89
17
0-4795
58-86
1-05
156
2-23
3-09
1-20
1-81
2-62
3-64
CI
A
K
18
0-4506
66-31
19
0-4859
64-91
141
2-12
3-07
4-27
Ca
20
0-4990
66-54
1-62
2-46
3-56
4-96
Sc
21
0-4671
74-64
1-84
2-81
4-09
5-71
Ti
22
0-4593
79-52
2-10
3-22
4-69
6-56
23
0-4514
84-58
2-38
7-46
Cr
24
86-34
2-69
366
413
5-34
0-4614
6-03
8-44
3-00
4-63
6-76
9-46
Mn
25
0-4550
91-20
Fe
26
0-4655
92-71
3-35
5-16
7-54
10-5
97-84
3-71
5-73
8-37
11-7
9-25
12-9
Co
27
0-4581
Ni
28
0-4769
4-11
6-34
Cu
Zn
29
0-4564
105-5
4-51
6-97
10-2
14-2
30
0-4589
108-5
496
7-65
11-2
15-6
Ga
Ge
31
0-4446
115-7
5-42
8-37
12-2
17-0
32
0-4408
120-5
5-92
914
13-3
18-5
As
33
0-4405
124-4
6-45
9-94
14-5
20-1
Se
34
0-4306
1311
7-00
10-8
15-7
21-7
Br
35
0-4380
132-7
7-58
11-7
16-9
23-5
Kr
36
0-4296
1391
819
12-6
18-3
25-2
141-9
8-84
13-6
19-6
27-1
9-50
Rb
37
0-4328
97-46
Sr
38
0-4336
145-5
14-6
21-0
29-0
39
0-4386
147-6
10-2
15-6
22-5
30-9
Zr
40
0-4385
151-4
10-9
16-7
24-0
32-9
175
TABLE
Mass Absorption
nip
is
Absorber
Coefficients
/*//>
given to 3 figures
3.2.2E (continued)
(Z=l
to 83) for the
with values of
Z/A and A/N
of the Elements
values in
italics
Range of Wavelengths 0-30
(0*05) 2-75
A=0-50
0-55
0-60
0-65
0-70
0-75
0-367
0-370
0-374
0-377
0-379
0-382
He
0-190
0-194
0-198
0-202
0-206
0-211
Li
0.178
0-185
0-194
0-204
0-215
0-227
Be
0-209
0-225
0-244
0-267
0-292
0-322
0-246
0-272
0-304
0-340
0-382
0-431
0-336
0-388
0-449
0-521
0-605
0-701
N
O
0-438
0-523
0-625
0-745
0-884
1-04
0-708
0-865
1-05
1-26
1-51
0-577
0-742
0-931
1-16
1-42
1-73
2-08
Ne
10
0-983
1-25
1-56
1-94
2-37
2-87
Na
11
1-24
1-59
2-01
2-50
3-08
3-73
Mg
12
1-56
2-01
2-56
3-19
3-93
4-78
Al
13
1-93
2-51
3-20
4-01
4-95
6-02
Si
14
2-39
3-11
3-97
4-99
6-16
7-52
4-85
6-10
7-55
9-21
15
2-90
3-79
16
3-50
4-58
5-87
7-38
4-16
5-46
7-00
8-81
CI
17
18
4-91
6-44
19
5-76
7-56
Ca
20
6-68
8-78
Sc
21
7-70
Ti
22
8-86
23
Cr
24
9-14
11-2
10-9
13-3
15-7
8-27
10-4
12-9
9-71
12-2
15-1
18-4
11-3
14-2
17-5
21-3
10-1
13-0
16-3
20-2
24-6
11-6
14-9
18-8
23-2
28-2
10-1
13-2
17-0
21-3
26-3
32-0
11-4
15-0
19-2
24-1
29-7
36-2
33-2
40-4
Mn
25
12-8
16-8
21-5
27-0
Fe
26
14-2
18-7
23-9
29-9
36-9
44-8
40-7
49-3
54-1
Co
27
15-8
20-7
26-4
33-1
Ni
28
17-4
22-8
29-1
36-4
44-7
Cu
29
19-1
25-0
31-9
39-8
48-9
59-0
Zn
30
20-9
27-3
34-8
43-4
53-2
64-1
Ga
31
22-8
29-8
37-8
47-1
57-6
69-4
Ge
32
24-8
32-3
41-0
51-0
62-3
74-8
33
26-9
35-0
44-3
55-0
67-0
80-4
37-7
47-7
59-1
71-8
86-0
16-1
91-6
As
Se
34
29-1
Br
35
31-3
40-5
51-2
63-3
Kr
36
33-6
43-5
54-8
67-5
81-7
58-4
71-8
86-6
103
108
97-3
Rb
37
36-0
46-4
Sr
38
38-5
49-5
62-0
76-1
91-6
39
40-9
52-5
65-7
80-3
96-4
17-2
Zr
40
43-5
55-6
69-3
84-5
15-2
18-6
176
A,
TABLE
Mass
3.2.2E (continued)
Absorption Coefficients nip of the Elements (Z=l to 83) for the Range of Wavelengths 0-30 (0*05) 2-75 A,
with values of Z/A and A/N
fj,jp is
given to 3 figures
Absorber
values in
italics
A=0-80
0-85
0-90
0-95
1-00
1-05
0-397
0-384
0-387
0-389
0-392
0-395
He
0-217
0-222
0-229
0-236
0-244
0-252
Li
0-241
0-257
0-275
0-294
0-316
0-340
Be
0-355
0-392
0-434
0-481
0-533
0-591
0-618
0-696
0-782
0-877
0-486
0-548
0-811
0-935
1-07
1-23
1-40
1-59
1-23
1-43
1-66
1-92
2-21
2-52
1-79
2-11
2-47
2-86
331
3-79
4-67
5-37
N
O
F
Ne
2-49
2-95
3-46
4-03
10
3-44
4-08
4-80
5-60
6-49
7-48
Na
11
4-49
5-33
6-29
7-35
8-52
9-82
Mg
12
5-75
6-85
Al
13
7-25
8-64
Si
14
9-05
15
S
CI
110
12-6
10-2
11-9
13-8
15-9
10-8
12-7
14-9
17-3
19-9
11-1
13-2
15-6
18-3
21-2
24-4
16
13-4
16-0
18-9
22-1
25-6
29-5
17
16-0
19-1
22-6
26-4
30-6
35-2
18
18-9
22-6
26-6
31-1
36-0
41-4
19
22-2
26-4
31-1
36-3
42-0
48-3
Ca
20
25-7
30-5
35-9
41-9
48-4
55-6
Sc
21
29-5
35-1
41-2
48-1
55-5
63-7
Ti
22
33-9
40-2
47-3
55-0
63-5
72-8
23
38-5
45-6
53-6
62-4
71-9
82-4
Cr
24
43-4
51-4
60-4
70-2
80-9
92-6
Mn
25
48-4
57-3
67-2
78-0
89-9
103
Fe
26
53-6
63-4
74-2
86-1
99-1
113
Co
27
59-0
69-7
81-5
94-4
Ni
28
64-6
76-2
89-0
Cu
29
70-4
82-9
96-6
Zn
30
76-3
89-8
Ga
Ge
31
82-5
96-8
32
88-7
104
As
33
95-0
111
8-07
108
124
103
118
134
112
128
145
104
120
137
156
112
129
147
166
120
138
157
177
128
147
166
155
Se
34
101
118
136
Br
35
108
125
144
132
Kr
36
114
Rb
37
120
Sr
38
Y
Zr
9-44
27-4
26-1
301
24-7
28-6
33-0
35-9
23-0
26-9
31-2
21-1
24-9
29-2
33-8
38-9
19-2
22-9
27-0
31-5
36-5
42-0
39
20-8
24-7
29-1
34-0
39-4
45-3
40
22-4
26-6
31-3
36-6
42-4
48-7
177
K
K
TABLE
Mass Absorption
fi/p is
Coefficients
given to 3 figures
Absorber
H
He
/*//>
3.2.2E (continued)
of the Elements (Z=l to 83) for the Range of Wavelengths 0-30 (005) 2-75 A,
with values of ZjA and A/N
values in
italics
A=H0
1-15
1-20
1-25
1-30
1-35
0-400
0-403
0-407
0-410
0-414
0-418
0-307
0-321
0-261
0-271
0-282
0-294
Li
0-366
0-394
0-426
0-460
0-496
0-536
Be
0-654
0-723
0-798
0-880
0-968
1-06
0-982
1-10
1-22
1-36
1-50
1-66
1-80
2-03
2-28
2-55
2-84
3-16
2-87
3-25
3-67
4-12
4-60
5-13
4-33
4-91
5-55
6-24
6-99
7-80
6-14
6-98
F
Ne
10
Na
11
Mg
8-55
12
9-73
7-90
11-0
8-89
12-4
9-97
111
13-9
15-5
11-2
12-8
14-5
16-3
18-3
20-4
14-4
16-4
18-6
20-9
23-5
26-2
26-4
29-6
33-1
Al
13
18-2
20-8
23-5
Si
14
22-8
25-9
29-3
33-0
37-0
41-3
15
27-9
31-8
36-0
40-5
45-3
50-5
16
33-8
38-4
43-4
48-8
54-6
60-9
CI
17
40-2
45-7
51-6
58-0
64-9
72-3
A
K
18
47-3
53-7
60-6
68-1
76-1
84-7
19
55-2
62-6
70-6
79-2
88-5
98-4
Ca
20
63-4
71-8
80-9
90-7
Sc
21
72-5
82-1
92-4
Ti
22
82-9
93-7
23
Cr
24
105
Mn
25
Fe
Co
101
112
103
115
128
105
118
131
145
106
119
133
148
164
119
133
149
166
183
117
132
147
164
183
202
26
128
144
162
180
199
220
27
140
157
176
195
216
238
232
255
248
272
93-7
Ni
28
152
170
190
211
Cu
29
163
183
204
226
Zn
30
175
196
217
240
Ga
31
187
208
32-8
36-7
41-0
36-9
41-3
46-1
51-4
32-3
36-5
41-1
46-1
35-7
40-4
45-4
50-9
56-8
34-5
39-2
44-4
49-9
55-9
62-3
35
37-7
42-9
48-5
54-6
61-1
68-1
Kr
36
41-0
46-6
52-7
59-3
66-3
73--9
Rb
37
44-5
50-5
57-1
64-2
71-8
79-9
38
48-0
54-6
61-6
69-2
77-4
861
66-3
74-4
83-1
92-5
71-1
79-8
89-1
991
Ge
32
As
33
Se
34
Br
Sr
IS
198
31-4
39
51-7
58-7
Zr
40
55-6
63-0
178
TABLE
Mass Absorption
pip
is
given to 3 figures
A=l-40
Absorber
3.2.2E (continued)
Range of Wavelengths 0-30 (005) 2-75 A,
(Z=l
to 83) for the
with values of
Z/A and AjN
Coefficients p\p of the Elements
values in
italics
are of
low accuracy. Lines indicate absorption edges.
1-45
1-50
1-55
1-60
1-65
0-422
0-426
0-431
0-436
0-441
0-447
He
0-335
0-351
0-368
0-386
0-406
0-426
Li
0-578
0-624
0-672
0-725
0-780
0-839
1-39
1-52
1-65
1-80
2-65
2-88
1-17
Be
1-28
1-83
2-02
2-21
2-42
3-50
3-86
4-25
4-67
5-12
5-59
6-95
7-64
8-38
9-16
5-69
6-30
8-66
9-59
10-6
11-7
12-8
14-0
F
Ne
12-4
13-7
151
16-7
18-3
20-0
10
17-3
191
21-1
23-2
25-5
27-9
Na
11
22-7
25-2
27-8
30-6
33-5
36-7
Mg
12
29-1
32-3
35-6
39-2
42-9
47-0
13
36-8
40-7
44-9
49-4
54-1
59-1
67-5
73-8
82-4
90-0
Al
Si
14
45-9
50-8
56-0
61-6
15
561
62-1
68-5
75-3
16
67-6
74-8
82-4
90-5
80-2
88-6
97-6
990
108
107
117
128
CI
17
A
K
18
104
114
125
137
149
19
109
120
132
145
158
172
Ca
20
124
137
150
164
179
195
Sc
21
141
155
170
186
203
220
Ti
22
161
176
193
211
229
249
217
237
257
278
310
93-9
23
181
198
Cr
24
202
221
242
264
286
Mn
25
222
243
265
289
313
338
Fe
26
242
264
288
313
338
365
Co
27
261
285
310
335
362
279
304
48-2
42-2
46-4
50-9
55-6
400
44-3
48-9
53-7
58-9
64-4
30
45-6
50-5
55-7
61-2
67-2
73-4
Ga
31
51-3
56-8
62-7
68-9
75-5
82-6
Ge
32
57-1
63-3
69-8
76-7
84-1
As
33
63-1
69-8
77-0
84-6
92-7
Se
34
69-2
76-6
84-4
102
111
Br
35
75-6
83-6
921
101
111
121
Kr
36
82-0
90-6
99-8
110
120
131
Rb
37
88-7
Sr
38
95-5
39
Zr
40
Ni
28
Cu
29
Zn
92-8
91-9
101
108
118
129
141
105
116
127
139
152
102
113
124
136
149
162
110
121
133
146
159
173
98-0
179
TABLE
Mass Absorption
filp is
given to 3 figures
Absorber
A=l-70
3.2.2E
(Z=l
to 83) for the
with values of
Z/A and AjN
Coefficients fijp of the Elements
values in
1-75
italics
1-80
1-85
1-90
1-95
0-452
0-459
0-465
0-471
0-478
0-485
He
0-448
0-471
0-496
0-521
0-548
0-577
Li
0-902
0-969
1-04
1-11
1-19
1-27
Be
1-95
2-11
2-28
2-46
2-65
2-85
3-13
3-40
3-69
3-98
4-30
4-63
6-09
6-62
7-19
7-78
8-41
N
O
9-99
15-3
16-6
F
Ne
21-9
23-8
10
30-5
33-2
36-0
Na
11
40-0
43-6
47-3
51-2
55-4
59-7
Mg
12
51-2
55-7
60-4
65-4
70-7
76-2
Al
13
64-5
70-1
76-0
82-3
88-8
95-7
87-4
94-7
Si
14
80-4
15
98-1
16
CI
17
A
K
18
162
19
187
Ca
20
211
10-9
11-8
9-07
12-8
13-8
14-9
18-0
19-6
21-1
22-8
25-8
28-0
30-3
32-7
39-0
42-2
45-5
102
111
119
125
135
145
138
150
161
173
163
176
190
204
175
190
205
220
236
202
218
235
253
271
228
246
265
284
305
107
115
118
128
139
151
Sc
21
238
257
277
298
319
341
Ti
22
269
290
312
335
359
383
23
301
324
348
373
399
426
Cr
24
334
360
386
413
442
471
Mn
25
364
391
419
448
Fe
26
Co
27
Ni
Cu
58-3
67-7
49-4
53-7
58-1
62-8
52-6
57-2
62-1
67-2
72-6
78-3
28
60-7
66-0
71-6
77-5
83-8
90-3
29
70-3
76-4
82-9
89-8
97-0
94-4
392
Zn
30
80-1
87-1
Ga
Ge
31
90-0
97-9
32
100
109
118
As
33
110
120
130
Se
34
121
131
142
Br
35
132
143
155
167
Kr
36
142
155
167
Rb
37
153
166
180
Sr
38
165
179
39
176
191
Zr
54-1
40
188
203
105
102
110
115
124
134
128
138
149
141
152
163
154
166
179
180
194
181
195
209
194
209
225
193
208
224
241
206
222
239
257
220
237
254
273
106
180
119
TABLE
Mass Absorption
fijp is
Coefficients
/*//>
given to 3 figures
A=2-00
Absorber
3.2.2E (continued)
of the Elements (Z=l to 83) for the Range of Wavelengths 0-30 (005) 2-75 A,
with values of Z/A and AjN
values in
italics
are of
2-05
2-10
2-15
2-20
2-25
0-493
0-501
0-510
0-518
0-527
0-537
He
0-606
0-638
0-671
0-706
0-742
0-780
Li
1-36
1-45
1-55
1-65
1-76
1-87
Be
3-06
3-28
3-51
3-75
4-01
4-27
4-98
5-35
5-73
6-14
6-56
7-00
9-76
16-1
17-3
24-6
26-4
10-5
12-1
12-9
13-8
18-5
19-9
21-3
22-7
28-4
30-4
32-5
34-7
43-5
46-5
49-7
64-7
69-1
11-3
F
Ne
35-2
37-8
40-6
10
49-0
52-6
56-5
60-5
Na
11
64-3
691
74-1
79-3
88-0
94-4
84-8
90-5
Mg
12
101
108
Al
13
103
110
118
127
135
Si
14
128
137
147
157
168
179
15
156
167
179
191
204
217
16
186
200
214
228
243
259
CI
17
219
235
251
267
285
303
289
308
328
349
82-0
253
18
271
115
144
19
290
310
331
352
374
397
Ca
20
326
347
370
393
417
442
Sc
21
364
388
413
438
464
491
Ti
22
409
435
462
489
518
547
23
454
482
511
541
571
603
Cr
24
500
531
Mn
25
62-7
67-4
62-0
66-4
71-0
75-8
72-3
77-4
82-7
88-3
Fe
26
72-9
78-3
83-9
Co
27
84-3
90-5
97-0
Ni
28
97-1
Cu
Zn
29
30
Ga
Ge
As
89-8
960
102
104
111
118
128
136
104
112
120
112
121
129
138
148
158
128
137
147
158
168
179
31
144
154
165
177
189
201
32
160
171
184
196
210
223
33
176
188
202
216
230
245
Se
34
192
206
220
235
251
267
Br
35
208
223
239
255
272
290
Kr
36
225
241
257
275
293
312
Rb
37
241
259
276
295
314
334
Sr
38
258
276
295
314
335
356
39
275
294
314
334
356
378
Zr
40
292
312
333
354
376
399
181
TABLE
Mass Absorption
3.2.2E
Coefficients p/P of the Elements (Z=l to 83) for the

with values of Z/A and
A/N
fijp is
given to 3 figures
A=2-30
Absorber
values in
italics
2-35
2-40
2-45
2-50
2-55
0-604
0-547
0-557
0-568
0-580
0-592
He
0-820
0-861
0-905
0-950
0-997
1-05
Li
1-98
2-10
2-23
2-36
2-49
2-64
Be
4-55
4-84
5-15
5-46
5-79
7-46
7-95
8-45
8-97
9-52
14-7
15-6
16-6
17-7
18-8
19-9
24-2
25-8
27-5
29-2
31-0
32-8
37-0
39-4
42-0
44-6
47-3
50-1
F
Ne
53-0
56-5
60-1
63-8
67-7
71-7
10
73-6
78-4
83-4
88-5
93-9
99-4
Na
11
96-4
Mg
12
123
Al
13
154
6-13
10-1
130
109
116
123
130
139
147
156
165
163
173
184
195
206
103
Si
14
191
203
215
228
241
255
15
231
246
261
276
292
309
16
275
292
310
328
347
366
CI
17
322
341
362
382
404
426
18
370
392
415
438
462
487
557
19
421
446
471
497
523
Ca
20
467
494
521
548
577
606
Sc
21
518
547
575
605
635
666
Ti
22
23
69-2
73-6
78-3
83-1
Cr
24
80-8
86-0
91-4
97-0
Mn
25
94-1
57?
607
638
670
74-6
88-1
791
93-4
103
109
100
106
113
120
127
Fe
26
109
116
123
131
139
147
Co
27
126
134
143
151
160
170
Ni
28
145
154
164
174
184
195
226
Cu
Zn
29
168
179
190
201
213
30
191
203
216
229
242
257
Ga
Ge
31
214
228
242
257
272
288
32
238
253
268
284
301
318
As
33
261
277
294
312
330
349
Se
34
284
302
320
339
359
379
Br
35
308
327
346
367
388
409
439
Kr
36
331
351
372
394
416
Rb
37
354
376
398
421
444
469
Sr
38
377
400
423
447
472
497
39
400
424
448
473
499
525
499
525
553
Zr
40
423
448
473
182
TABLE
Mass
HJp
is
given to 3 figures
A=2-60
Absorber
H
He
3.2.2E (continued)
Absorption Coefficients p\p of the Elements (Z=l to 83) for the Range of Wavelengths 0-30 (005) 2-75 A,
with values of Z\A and AjN
0-617
values in
italics
2-65
2-70
2-15
0-630
0-643
0-658
1-26
3-26
1-10
1-15
1-20
Li
2-78
2-94
3-10
Be
6-49
6-86
7-24
10-7
11-3
11-9
12-6
21-1
22-3
23-5
24-8
34-7
36-7
38-8
41-0
53-1
56-1
59-3
62-5
F
Ne
75-9
80-3
84-8
10
105
111
Na
11
137
145
153
162
184
194
204
117
1-(A
89-4
124
Mg
12
174
Al
13
217
229
242
255
Si
14
270
284
300
316
15
326
344
362
381
16
386
407
428
450
CI
17
449
473
497
522
A
K
18
512
539
566
593
19
579
608
637
667
Ca
20
635
666
697
728
Sc
21
697
729
761
794
Ti
22
is
83-7
88-4
93-4
98-5
23
104
110
Cr
24
115
122
128
135
Mn
25
134
142
149
157
Fe
26
155
164
173
182
Co
27
179
189
200
210
Ni
28
206
218
230
242
Cu
Zn
29
239
252
266
280
30
271
286
302
318
Ga
31
304
321
338
356
98-8
116
Ge
32
336
355
374
393
As
33
368
388
409
430
Se
34
400
422
444
467
Br
35
432
455
479
503
Kr
36
463
487
512
538
Rb
37
494
519
546
573
Sr
38
523
550
578
606
39
552
580
609
638
Zr
40
581
610
639
670
183
TABLE
Mass Absorption
ixjp is
Absorber
given to 3 figures
Z/A
3.2.2E (continued)
(Z=l
to 83) for the
with values of
Z/A and A/N
Coefficients fx/p of the Elements
values in
italics
04/A0xl0 24
A=0-30
0-35
0-40
0-45
34-9
Nb
41
0-4413
154-2
11-7
17-8
25-5
Mo
42
0-4377
159-3
12-4
18-9
27-1
37-0
Tc
43
0-4343
164-3
13-2
20-1
28-6
39-0
Ru
Rh
44
0-4352
167-8
14-0
21-2
30-2
41-0
45
0-4373
170-8
14-8
22-4
31-8
43-1
Pd
46
0-4323
176-6
15-6
23-6
33-4
45-1
Ag
47
0-4357
179-1
16-5
24-8
35-0
470
48-9
Cd
48
0-4270
186-6
17-3
26-0
36-5
In
49
0-4268
190-6
18-1
27-1
38-0
7-96
Sn
50
0-4212
197-0
190
28-3
39-5
8-48
29-4
40-9
9-02
Sb
51
0-4189
202-1
19-8
Te
52
0-4075
211-8
20-6
30-5
6-85
53
0-4176
210-7
21-4
31-6
7-27
10-2
Xe
54
0-4113
218-0
22-2
32-6
7-70
10-8
Cs
55
0-4138
220-6
23-2
8-16
11-4
Ba
La
Ce
56
0-4077
228-0
23-8
5-90
8-62
120
57
0-4103
230-6
24-5
6-24
9-12
12-7
58
0-4139
232-6
25
6-59
Pr
59
0-4187
233-9
Nd
60
0-4159
239-5
Pm
61
0-4207
Sm
62
0-4124
Eu
63
0-4145
Gd
64
Tb
'
4-50
4-75
240-7
5-01
249-6
5-27
252-3
5-55
0-4070
261-1
65
0-4090
Dy
Ho
66
67
Er
5-58
9-63
9-58
13-4
6-96
10-2
14-2
7-34
10-7
14-9
7-74
11-3
15-7
8-15
11-9
16-6
8-58
12-5
17-4
5-84
9-02
131
18-3
263-8
614
9-49
13-8
19-2
0-4061
269-8
6-45
9-97
0-4062
273-8
6-77
68
0-4065
277-7
Tm
69
0-4084
Yb
70
Lu
Hf
Ta
14-5
20-2
10-5
15-2
21-2
7-11
110
160
22-2
280-4
7-46
11-5
16-8
23-3
0-4045
287-3
7-82
121
17-6
24-4
71
0-4057
290-5
8-20
12-7
18-4
25-6
72
0-4034
296-3
8-57
13-2
19-2
26-7
73
0-4034
300-4
8-97
13-8
20-1
27-9
74
0-4025
305-2
9-37
14-5
21-0
29-1
Re
75
0-4027
309-1
9-78
151
21-9
30-3
Os
76
0-3996
315-7
10-2
15-7
22-8
31-6
Ir
77
0-4006
319-1
10-6
16-4
23-7
32-8
Pt
78
0-3998
323-9
11-1
17-0
24-6
34-0
Au
Hg
79
0-4010
327-0
11-5
17-6
25-5
35-1
80
0-3988
333-0
11-9
18-2
26-3
36-2
Tl
81
0-3963
339-3
12-3
18-9
27-2
37-3
82
0-3957
344-0
12-8
19-6
28-1
38-4
20-3
29-1
39-6
Pb
Bi
83
0-3971
347-0
13-4
184
TABLE
Mass Absorption
nip
Absorber
is
Coefficients
/*//>
given to 3 figures
A-0-50
3.2.2E (continued)
(Z=l
to 83) for the
with values of
Z/A and AjN
of the Elements
values in
italics
are of
0-55
0-60
0-65
0-70
0-75
41
46-0
58-7
73-0
88-7
16-4
20-0
42
48-5
61-8
76-5
14-2
17-6
21-4
43
51-1
64-8
12-1
15-2
18-8
23-0
Ru
Rh
44
53-6
67-7
13-0
16-3
20-2
24-6
45
560
10-9
13-9
17-5
21-6
26-3
Pd
46
58-4
11-6
14-9
18-7
23-1
28-1
12-4
15-9
20-0
24-7
30-0
Nb
Mo
Tc
Ag
Cd
47
In
9-45
48
10-1
13-2
17-0
21-3
26-3
32-0
49
10-8
14-1
18-1
22-7
28-0
34-1
Sn
50
11-5
150
19-2
24-2
29-8
36-2
Sb
Te
51
12-2
16-0
20-5
25-7
31-7
38-5
52
12-9
17-0
21-7
27-2
33-6
40-7
53
13-7
18-0
23-0
28-8
35-5
43-1
45-5
Xe
54
14-5
19-0
24-3
30-5
37-5
Cs
55
15-4
20-1
25-7
32-2
39-6
48-0
Ba
La
Ce
56
16-2
21-3
27-2
34-0
41-7
50-5
57
17-1
22-4
28-6
35-8
44-0
53-2
58
18-1
23-7
30-2
37-7
46-3
55-9
Pr
59
191
24-9
31-8
39-7
48-6
58-7
Nd
60
20-1
26-2
33-4
41-7
51-1
61-6
Pm
61
21-2
27-6
35-1
43-8
53-6
64-7
Sm
62
22-2
29-0
36-9
46-0
56-3
67-8
Eu
63
23-4
30-5
38-8
48-3
590
71-0
Gd
64
24-6
32-0
40-7
50-6
61-8
74-4
Tb
65
25-8
33-6
42-7
53-1
64-8
77-9
Dy
Ho
66
27-1
35-2
44-7
55-6
67-8
81-5
67
28-4
36-9
46-9
58-2
71-0
85-2
Er
68
29-8
38-7
49-1
60-9
74-2
89-1
Tm
69
31-2
40-6
51-4
63-8
77-7
931
Yb
70
32-7
42-5
53-8
66-7
81-2
97-2
Lu
Hf
Ta
71
34-2
44-4
56-2
69-6
84-7
101
72
35-7
46-3
58-6
72-5
88-1
105
48-3
61-1
110
73
37-3
75-5
91-7
74
38-9
50-3
63-6
78-6
95-3
114
Re
75
40-5
52-4
661
81-6
98-9
118
Os
76
42-1
54-4
68-5
84-5
102
122
Ir
77
43-6
56-4
71-0
87-4
106
126
Pt
78
45-2
58-3
73-3
901
109
129
Au
Hg
79
46-6
600
75-2
92-3
111
132
80
47-9
61-5
76-9
941
113
133
Tl
81
49-2
630
78-6
95-8
115
135
Pb
82
50-6
64-5
80-1
97-2
116
135
83
51-9
65-8
81-3
981
116
135
Bi
185
TABLE
Mass Absorption
nip
is
Coefficients
/*//>
given to 3 figures
Absorber
3.2.2E {continued)
(Z=l
to 83) for the
with values of
Z\A and AjN
of the Elements
values in
italics
(0-05) 2-75
A =0-80
0-85
0-90
0-95
1-00
1-05
Nb
41
24-0
28-6
33-7
39-3
45-4
52-2
30-6
36-1
55-8
Mo
42
25-8
42-1
48-6
Tc
43
27-6
32-8
38-6
45-0
52-0
59-6
Ru
Rh
44
29-6
35-1
41-3
48-1
55-5
63-7
45
31-6
37-5
44-1
51-3
59-3
67-9
72-4
Pd
46
33-8
40-1
47-1
54-8
63-2
Ag
Cd
47
36-0
42-7
50-2
58-4
67-3
77-1
48
38-4
45-5
53-4
62-1
71-6
82-0
In
49
40-9
48-4
56-8
66-0
76-1
87-0
Sn
50
43-4
51-4
60-3
70-0
80-7
92-2
Sb
Te
51
46-1
54-6
64-0
74-3
85-5
97-7
52
48-8
57-7
67-6
78-5
90-3
103
53
51-6
61-0
71-4
82-8
95-1
109
Xe
54
54-4
64-3
75-2
87-1
100
114
Cs
55
57-3
67-7
79-1
91-6
105
120
Ba
La
Ce
56
60-3
71-2
83-1
110
125
57
63-4
74-8
87-3
101
115
131
58
66-6
78-5
91-5
106
121
137
Pr
59
70-0
82-3
95-9
111
126
143
Nd
60
73-4
86-3
100
116
132
150
Pm
61
76-9
90-4
105
121
138
156
Sm
62
80-6
94-6
110
126
144
163
Eu
63
84-3
115
132
150
170
Gd
64
88-3
103
120
138
157
177
Tb
65
92-3
108
125
144
163
184
Dy
Ho
66
96-5
113
131
150
170
192
67
101
118
136
156
177
199
Er
68
105
123
142
163
185
208
Tm
69
110
129
148
170
192
216
Yb
70
115
134
155
177
200
225
Lu
Hf
Ta
71
120
140
161
184
208
233
72
124
145
167
190
215
240
73
129
150
173
197
222
248
74
134
156
179
204
229
Re
75
139
161
185
210
Os
76
143
166
190
216
Ir
77
147
170
195
Pt
78
151
174
Au
Hg
79
153
177
80
155
Tl
81
Pb
98-9
78-3
156
LI
82
T TT
LIII
67-1
83
186
rT
Li
f TT
i^ll
75-3
Lll
Bi
96-1
71-3
81-5
74-2
84-7
77-2
88-1
ttti
LH1
A,
TABLE
Mass
Absorption Coefficients
fi/p is
/z//>
given to 3 figures
A=
Absorber
W0
3.2.2E (continued)
(Z=l
to 83) for the
with values of
ZjA and AjN
of the Elements
values in
1-15
italics
are of
1-20
1-25
1-30
95-2
1-35
106
Nb
41
59-5
67-5
76-1
85-3
Mo
42
63-7
72-1
81-3
911
102
43
67-9
76-9
86-6
97-0
108
120
103
115
128
110
123
136
Tc
113
Ru
Rh
44
72-5
82-1
92-4
45
77-3
87-5
98-4
Pd
46
82-4
93-1
105
117
130
144
Ag
Cd
47
87-6
990
111
124
138
153
48
93-2
105
118
132
147
162
In
49
98-9
112
125
140
155
172
132
148
164
181
Sn
50
105
118
Sb
Te
51
111
125
140
156
173
191
52
117
132
147
164
182
201
53
123
138
155
172
191
211
220
Xe
54
129
145
162
181
200
Cs
55
135
152
170
189
209
229
Ba
La
Ce
56
142
159
177
197
217
239
57
148
166
185
205
226
248
58
155
173
193
214
235
258
Pr
59
162
181
201
222
244
268
231
254
277
Nd
60
168
188
209
Pm
61
176
196
217
240
263
287
204
226
249
273
297
283
308
Sm
62
183
Eu
63
190
212
235
258
Gd
64
198
221
244
268
293
318
Tb
65
206
229
253
278
303
329
Dy
Ho
66
214
238
263
288
314
340
67
223
247
272
298
325
Er
68
232
257
282
309
Tm
69
241
267
293
Yb
70
250
111
Lu
Hf
Ta
71
259
LIIT
107
Li.
72
101
112
73
105
116
74
Re
75
Os
76
Lll
98-7
85-4
110
121
92-1
103
114
126
95-9
107
119
131
111
124
137
821
92-6
104
116
129
142
79
85-4
96-3
108
120
134
147
80
88-8
100
112
125
139
153
Tl
81
92-4
104
117
130
144
159
Pb
82
96-0
108
121
135
150
165
83
99-8
126
140
155
171
Ir
77
Pt
78
Au
Hg
Bi
88-9
LIH
112
U
ill
99-8
187
TABLE
Mass Absorption
nip
is
given to 3 figures
Absorber
A=l-40
to 83) for the
with values of
Z/A and A/N
values in
1-45
3.2.2E (continued)
(Z=l
Coefficients n/p of the Elements
italics

1-50
1-55
1-60
1-65
Nb
41
117
129
142
155
169
184
Mo
42
125
137
151
165
180
195
Tc
43
133
146
160
175
190
207
Ru
Rh
44
141
155
170
186
202
219
45
150
165
180
197
214
232
Pd
46
159
175
191
209
227
246
Ag
Cd
47
169
185
203
221
240
260
48
179
196
215
234
254
275
In
49
189
207
227
247
268
290
Sn
50
199
219
239
260
282
304
Sb
Te
51
210
230
251
273
296
320
52
221
242
263
286
310
334
53
231
253
275
298
323
348
Xe
54
241
263
286
310
335
361
Cs
55
251
274
298
322
347
373
Ba
La
Ce
56
261
285
309
334
359
386
57
271
295
320
345
371
398
58
281
306
331
356
383
409
Pr
59
292
316
342
368
394
421
Nd
60
302
327
353
379
405
432
Pm
61
312
338
364
390
416
443
Sm
62
323
348
375
401
Eu
63
333
360
386
371
Gd
64
344
Tb
65
356
Dy
Ho
66
Er
68
Tm
69
Yb
70
67
LI
-LI
-LII
-LIII
139
135
146
130
141
154
125
136
148
161
119
130
142
155
168
113
124
136
149
162
175
183
LII-
LIII-
Lu
71
118
130
142
155
168
Hf
72
123
135
148
161
175
190
Ta
73
128
141
154
168
183
198
74
134
147
160
175
190
205
Re
75
139
153
167
182
197
213
Os
76
145
159
173
189
205
221
Ir
77
150
165
180
196
212
230
Pt
78
156
171
187
203
220
238
Au
Hg
79
162
178
194
211
228
247
80
168
184
201
219
237
256
Tl
81
175
191
209
227
245
265
Pb
82
181
198
216
235
254
274
Bi
83
188
206
224
243
263
284
188
TABLE
Mass Absorption
p/p
is
given to 3 figures
A=l-70
Absorber
3.2.2E (continued)
(Z=l
to 83) for the
with values of
ZjA and AjN
Coefficients \i\p of the Elements
values in
italics
are of
(0-05) 2-75 A,
1-75
1-80
1-85
1-90
1-95
Nb
41
200
216
233
251
270
289
Mo
42
212
229
247
265
285
305
Tc
43
224
242
261
280
300
321
Ru
Rh
44
238
256
276
296
318
340
45
251
271
292
313
335
358
Pd
46
266
287
308
330
354
377
325
348
372
397
Ag
Cd
47
281
48
297
319
343
367
392
418
In
49
312
336
360
386
412
438
Sn
50
328
352
378
404
431
458
Sb
Te
51
344
370
396
423
451
479
52
359
385
412
440
468
497
53
374
400
428
456
484
514
499
528
303
Xe
54
387
414
442
470
Cs
55
400
428
455
484
513
542
Ba
La
Ce
56
413
440
468
496
525
554
57
425
452
480
508
536
564
58
437
464
492
519
Pr
59
448
475
502
Nd
60
Pm
61
Sm
62
U
T
TT
-L,ll
Eu
63
Gd
64
Tb
65
Dy
Ho
459
f TTT
175
Til
XJ.1
161
173
186
183
196
158
170
155
167
180
193
207
151
163
176
189
203
217
66
159
171
185
199
213
228
67
166
180
193
208
223
238
Er
68
174
188
202
217
233
249
Tm
69
182
196
211
226
243
259
Yb
70
190
204
220
236
253
270
Till
im
Lu
71
197
213
229
245
263
280
Hf
Ta
72
205
221
238
255
273
291
73
214
230
247
265
283
302
74
222
239
256
274
293
313
Re
75
230
248
266
285
304
324
Os
76
239
257
275
295
315
335
Ir
77
248
266
285
305
326
346
Pt
78
257
276
295
316
337
358
Au
Hg
79
266
285
306
327
348
370
80
275
295
316
338
360
382
Tl
81
285
306
327
349
372
395
Pb
82
295
316
338
361
384
408
Bi
83
305
327
350
373
397
421
189
TABLE
Mass Absorption
fijp is
Coefficients
/x//>
given to 3 figures
Absorber
3.2.2E {continued)
(Z=l
to 83) for the
with values of
ZjA and A/N
of the Elements
values in
A =2-00
2-05
italics
are of
2-10
2-15
2-20
2-25
Nb
41
309
330
351
374
397
421
Mo
42
326
348
370
394
418
442
Tc
43
343
366
389
413
438
463
Ru
Rh
44
362
386
410
435
461
487
45
382
406
431
457
484
511
Pd
46
402
427
454
480
508
536
Ag
Cd
47
423
449
476
504
532
561
48
445
472
500
529
558
588
In
49
466
494
523
552
583
613
Sn
50
487
516
545
575
606
637
Sb
51
508
538
568
599
630
662
Te
52
527
557
587
618
649
681
53
543
573
604
634
665
696
Xe
54
558
588
618
648
678
708
Cs
55
571
600
630
659
Ba
La
Ce
56
57
58
LU
Pr
59
Nd
60
mi
Pm
Sm
61
62
Eu
582
tt
611
197
209
187
199
212
225
188
200
213
227
241
187
200
213
227
241
256
199
212
226
241
256
271
63
210
224
239
254
269
286
Gd
64
221
236
251
267
283
300
Tb
65
232
248
264
280
297
315
Dy
Ho
66
243
259
276
293
311
329
67
254
271
288
306
324
343
Er
68
265
283
300
319
337
357
Tm
69
276
294
313
331
351
371
Yb
70
287
3C6
325
344
364
384
377
398
175
LI
r l
\L/L
Lu
71
299
317
337
357
Hf
72
310
329
349
370
391
412
Ta
73
321
341
361
382
404
426
74
333
353
374
395
417
440
Re
75
344
365
387
409
431
454
Os
76
356
377
399
422
445
468
Ir
77
368
390
412
435
459
482
Pt
78
380
403
426
449
473
497
Au
Hg
79
393
416
439
463
487
512
80
406
429
453
477
502
527
Tl
81
419
443
467
492
517
542
Pb
82
432
457
482
507
532
558
Bi
83
446
471
497
522
548
574
190
T TTT
LHI
TABLE
Mass Absorption
\jl\p
is
Coefficients
/*//>
given to 3 figures
A =2-30
Absorber
3.2.2E {continued)
(Z=l
to 83) for the
with values of
Z\A and AjN
of the Elements
values in
italics
(0-05) 2-75 A,
2-35
2-40
2-45
2-50
2-55
579
Nb
41
445
471
497
524
557
Mo
42
468
494
521
548
576
605
Tc
43
489
516
544
572
601
630
Ru
Rh
44
514
542
570
599
629
659
45
539
568
597
626
657
687
Pd
46
565
594
624
654
685
716
Ag
Cd
47
591
621
652
683
714
746
48
618
649
681
712
744
777
In
49
644
675
707
739
772
804
Sn
50
668
700
732
764
796
829
Sb
Te
51
694
726
758
790
823
855
52
712
744
776
807
839
727
758
53
Xe
54
T 1
L.\
T 11
LI
111
UU
T
Cs
55
Ba
La
Ce
56
211
L/H
223
209
221
234
247
204
216
229
242
256
270
58
222
235
248
262
277
292
Pr
59
238
253
267
282
297
313
Nd
60
255
270
285
301
317
334
Pm
Sm
61
271
287
303
320
337
354
62
287
303
320
338
356
374
57
/ ITT
LHI
Eu
63
302
319
337
355
374
393
Gd
64
318
336
354
373
392
412
Tb
65
333
351
370
390
410
430
Dy
Ho
66
347
367
386
406
427
448
67
362
382
402
423
444
465
Er
68
377
397
418
439
460
482
Tm
69
391
412
433
455
477
499
Yb
70
405
427
448
470
493
516
Lu
Hf
Ta
71
419
441
464
486
509
532
72
434
456
479
502
525
549
73
448
471
494
517
541
565
74
462
486
509
533
557
581
Re
75
477
500
524
548
573
597
Os
76
492
515
540
564
589
613
Ir
77
506
531
555
580
605
629
Pt
78
521
546
571
596
621
646
Au
Hg
79
537
561
587
612
637
662
80
552
577
603
628
653
679
Tl
81
568
593
619
645
670
696
Pb
82
584
610
636
662
687
713
Bi
83
601
627
653
679
705
730
191
TABLE
Mass Absorption
fi/p is
given to 3 figures
Absorber
A=2-60
3.2.2E {continued)
(Z=l
to 83) for the
with values of
Z/A and A/N
Coefficients ft/p of the Elements
values in
italics
2-65
2-70
2-75
Nb
41
608
638
668
699
Mo
42
635
665
696
727
Tc
43
660
691
722
753
Ru
Rh
44
690
721
752
784
45
719
750
782
815
Pd
46
748
780
813
845
Ag
Cd
47
778
811
843
876
48
809
842
875
908
In
49
837
870
902
935
Sn
50
861
894
926
958
Sb
51
887
Te
52
53
Xe
54
210
221
233
245
Cs
55
235
248
261
274
Ba
La
Ce
56
260
274
288
302
57
284
299
314
330
58
307
323
339
356
Pr
59
330
346
363
381
Nd
60
351
369
387
405
Pm
6.1
Sm
62
393:
Eu
63
412
432
452
473
Gd
64
432
453
474
495
Tb
65
451
472
494
516
Dy
Ho
66
469
491
513
536
67
487
509
532
555
Er
68
505
528
551
574
Tm
69
522
545
569
593
Yb
70
539
563
587
611
Lu
71
556
580
604
628
LI
'
214
372-
391
412'.'
...
.
-.-:.
410
432
429
.
452
Hf
72
573
597
621
646
Ta
73
589
613
638
663
74
605
630
655
679
Re
75
622
646
671
696
Os
76
638
663
688
712
Ir
77
654
679
704
729
Pt
78
671
696
720
745
Au
Hg
79
687
712
737
761
80
704
729
753
778
Tl
81
721
746
770
794
Pb
82
738
763
787
811
Bi
83
755
780
804
827
192
(0-05) 2-75
LI
7"TT
L,Yl
fTT
TTTT
UU
T TTT
LIH
A,
ABSORPTION
3.2.
3.2.3.
TABLE
Transmission Factors of Various Materials for
X-rays
3.2.3B
Transmission Factors for some Undeveloped X-ray

Films and for Two Wrapping Papers
(percentage transmission)
In Table 3.2.3A the percentage transmission factors
Kd radiation from various targets are given for a

few substances in general use. Those marked * have
been given by Guinier [2]. The remainder are measured
values of various origins, and it is important to realize
that these values may apply to source materials of
slightly variable compositions and that the measuring
techniques may be essentially different.
Table 3.2.3B gives a sample of the transmission
factors for selected Koc and Aj8 radiations for a few
commercial brands of X-ray film and for two types of
wrapping paper. Actual values should be found experimentally and checked as required, since the same
brand may vary. The factors by which the intensity of
a monochromatized beam of CuA'a radiation are
reduced by 41 brands of X-ray film are listed in A
Comparison of Various Commercially Available X-Ray
Films [\].
for
CrKoc
CrKp
Cuâ
CuAjS
MoKoc
14
7-5
16
36
37
42
49
47
47
52
60
78
79
82
91
94
96
99
99
Brands of
film:
10
19
15
24
74
85
80
89
85
Wrapping
papers
Type
Type
TABLE
II
95
3.2.3A
Transmission Factors of Various Materials for X-rays
Substances
Transmission factor (percentage transmission) for
Thickness
Cr/Ta
(mm.)
Air (normal conditions)
Argon
(id.)
Aluminium
100
100
0-01
0-1
1
Beryllium
Copper
89*
0-14*
68*, 73
4
0-3x10-15*
1-8*,
0-2
86*
72, 79*
0-75
61
M2xl0~
CuKoc
CoKol
68*
0-5
01
FeKoc
MoKa
13*
99*
79*
99, 99*
84
85
88*, 91
18
20
27*, 41
87*, 88
l-9xl0- 4 *
94*
24*
99*
91*
88
82
4*
86*, 87
80, 81
1-8*
1-6*
Black paper
(average)
01
80*, 81
91
93, 93*
99, 99*
28
42
001
9
74
85
91
0-1
62*
82
99
99*
X-ray film (average)
Mica
Lindemann
glass
85
86*
015
75
60
48*
23*
0-25
Pyrex glass
0-5
9*
1*
01
1
10*, 12
50*, 56
io- 8 *
io- 2 *
193
92*
85*
93*
40*
ABSORPTION
3.2.
men and gi is the
Special Cases of Absorption in Powders and
3.2.4.
fraction by weight of constituents

having mass absorption coefficients (/x/pX-. This
applies whether the constituents are elements in a
compound or alloy, or compounds in a mixture;
and it assumes that there are no voids in the specimen. (Tables of absorption or transmission factors
for cylindrical, spherical, etc., specimens (Vol. II,
other Non-homogeneous Specimens
The effect of grain or particle size on X-ray reflections

from powdered specimens, containing one or more substance, from inclusions in a matrix, from heterogeneous
alloys, etc.
Section 5.3) tacitly or explicitly assume that the

3.2.4.1.
Introduction
specimen
In general, the effect of particle size is to modify the

expression for reflection intensity even in the case of a
This
3.2.4.2.
real
absorption
many
be necessary
of lines from
components of a mixture of "medium"
See Table 3.2.4A, and

Brindley [3].
it may be possible to calculate the

of inclusions (linear absorption coefficient /*,-) from
the relative intensities of reflections using two or more
incident wavelengths giving very different absorption
coefficients /x,- or p [4].
size
Classification
TABLE
[3],
who
Be
gives references to previous work,
Mg
powders for X-ray absorption purposes as

where /x is the linear absorption coefficient,
the effective linear dimension of a particle:
classifies
1.
Reflection
is
confined
3.2.4B which
is
due to
3.2.4A
according to Size and
follows,
effect.
Linear Absorption Coefficients for some Metallic

Elements for CuKa radiation
Absorption of Particle
Brindley
volume
extinction).
about distributions
3.2.4.3.
gives a
to the surface layer of a particle (strong primary
Given simple assumptions
their line intensities.
and
particle layers
Very coarse powders p.D >
4.
(see
3.2.4.5) particles or for calculating their concentrations
from
Particle
appreciable; the radiation penetrates
absorption coefficient.
will
in calculating the relative intensities
is
Coarse powders 0T</x)<10. Radiation penetrates a few layers and is neither a proper volume
nor a surface effect. The effective absorption
coefficient is no longer represented by the mean
3.
Applications
Allowance for the correcting factor

different
Medium-grade powders 0-01<ju.Z)<0T.
2.
specimen may
differ from those (p, p) of the solid material of the
specimen. As the problem is very complicated an exact
theory of general validity has not been developed.
and density p' of a
/x'
homogeneous.)
is
the ideal case for quantitative determina-
tions.
single-substance specimen, to allow for the fact that
the absorption
is
Al
131
Sb
Sn
Si
141
Cr
Ni
407
430
473
Cd
Zn
Cu
Fine powders, juZ)<0-01; negligible absorption by

individual particles. In this case p!\p'=p\p and
p./p=Y,g i (fjL/p) i where p is the density of the speci-
Mo
2-77
67-1
Mn
Ag
1656
1807
1865
1870
1998
2130
2289
Bi
Rh
Fe
Pd
Pb
Ta
Co
Hg
2353
2409
2425
2471
2632
2767
2913
Au
Pt
Ir
2926
3312
4010
4288
4352
TABLE
3.2.4B
Coarseness of Powders in relation to Particle Size and X-ray Absorption Coefficient
Particle
Linear absorption coefficient /x(cm
_1
)
size
D
io- 3
io- 4
IO" 5
io- 6
Medium
-Fine-
Fine-
->
->
-Fine-
Fine
194
10 000
1000
100
10
(cm)
Coarse
Medium
<
Very Coarse
Coarse
<
Medium
<
ABSORPTION
3.2.
TABLE
3.2.4C
Numerical Values of the Particle Absorption Factor r t for Spherical Crystals
Ti=y
exp{-(/* i -/z)/?J^F
where the meanings of the symbols are given in
(Pi-f^Rt
1-000
1-000
1-014
1-014
1-014
1-028
1-027
1-027
1-043
1042
1-042
1-059
1-058
1-059
1-074
1-073
1-074
1-090
1091
1-091
1-107
1108
1-108
1-124
1-125
1-125
-09
1-142
1-143
1-144
-10
1159
1162
1-163
1-000
1-000
0-986
0-972
0-959
0-986
0-973
0-946
0-933
-01
-02
-03
-04
.05
0-945
0-932
1-000
0-986
0-973
0-960
0-947
0-934
-05
06
0-918
0-919
0-921
-06
-07
-08
03
04
07
08
09
10
2
3
4
5
3.2.4.4.
Case
1.
0-960
0-905
0-892
0-878
0-865
0-906
0-893
0-879
0-866
0-908
0-895
0-882
0-870
0-742
0-640
0-545
0-468
0-753
0-760
0-653
0-671
0-569
0-496
0-587
0-529
I Q'SA
Ir=-
For a
(0,
flat
and for the

and j:
specimen the
(a)
1+ cos* 20
A af8
,
2 sin
sin
20
where p is the multiplicity factor, s is the length of the

measured part of the line on a film distant r from the
specimen, and the other symbols have their usual
significance (see Vol. II, Section 5.1.1).
sin
A(0,ftsin
where
is
beam and
1-807
1-827
2-036
2-029
Pi
Mixtures of n components; (ju./p) t for one component, present in unknown amount, equal to that
of the matrix which is the sum of the remaining
components. Direct linear analysis is possible.
This could apply to polymorphic forms of a given
-
(c)
Mixture of n components {p-jp)i not equal to that

of matrix {p-jp) M Analysis by weight possible if an
internal standard is added in known concentration.
(20-0)
the
surface).
3.2.4.5.
Mixed Specimen. In a mixture the relation for a

component i of fraction by weight g is (flat specimen)
Case
2.
Medium-grade Powders 001 < p,D < 0:
h = h Q/- S.Aip'gJix'pi
Si
Binary mixture: (p-lp)ij for the components

unequal. Concentration is not proportional to
diffraction intensity, but may be found by means
of calibration curves made from synthetic mixtures.
The function
beam and
Ai
Qi
(b)
(20-0)+ sin
deflection angle (between the reflected
two components
compound.
the glancing angle (between the incoming

the flat powder surface) and (20-0) is the
powder
1-813
2-068
Quantitative Determinations. Alexander and Klug

[1] have considered, for fine powder mixtures and flat
specimens only, the three cases:
m'C
1-362
1-585
is the cross-section of the X-ray beam, 7

Ir
are the incident and reflected intensity. Q' is given by
S77T
1-353
1-573
ratio of the intensities of
0)
where S
Q/
1-352
1-508
(1)
__ps g*A'
-2
-3
-4
-5
Fine Powders: ^ZXO-01
Single-substance specimen.
intensity is given by [3]
flat
1-000
(H-i-H-)
02
0=90
0=45
0=90
01
0=0
6=45
0=0
3.2.4.5
Here the
effect
of differential absorption
is
such that
in order to calculate the intensity of reflection for
(2)
195
3.2.
ABSORPTION
the particles in question, effective radius R

a correction factor T, must be used [3] [9]. According to
theory takes account of the fact that the intensity of
t ,
Rusterholz
diffraction
[7]
expi-iHi-lx^RiJdV
(4)
being the linear absorption coefficient for the

material of the particle and \x the mean linear absorp-
jx t
is
related to:
and
Particle
crystal
volume and shape.
2.
Linear absorption coefficient.
3.
Degree of compaction of the powder.
4.
Crystal-chemical composition.
5.
Primary extinction.
See [10] and
[11].
tion coefficient for the powder.
According to Brindley
being the
p.
mean
expf-C/z;- P)RiW
for
an
powder of a
expl-C^-l-V)^}^
integrated intensity
single substance
is
=SIQj2[,
....(9)
where S is the cross-section of the X-ray beam, of

average intensity /, and Q is the integrated intensity
per unit volume of solid material (for ju= 1) per unit /.
For a non-ideal sample composed of particles of one
size consisting of crystallites also of one size, the integrated intensity P is given by
linear absorption coefficient for the
(6)
P_
",u(l-
Pn
1+ QXp(-fiY)
exp(-2eT))"
_<:(!- exp(-2/*7'))_
_2-v(l- exp(-AtF)).
....(10)
Single-substance Specimen. According to Brindley's

formula, the factor T t does not apply to a singlesubstance specimen.
Following the formulae of
Rusterholz and De Wolff, the intensity from a single
component might be influenced
ideal
...(5)
solid material forming the specimen. De Wolff [11]

pointed out that a better approximation is given by
where
is
an
effective attenuation coefficient
which
includes primary extinction as well as ordinary absorp-
by volume, of the sample

of voids), Y is the average
tion, v is the solid fraction,
to a small degree.
(1
v= fractional volume
path length in the
Mixed Specimen.
particle,
and
T is
the
same for the
crystallite.
Ii=IoQi'SA
and the
i and j
The
Single-substance Specimen.
[3]
....(7)
ratio of the intensities of
Ij
= Qi
It will be seen that P^P as 7->0 and T-+0.

The relationship between Y, T and D, L (the particle
and crystallite diameters) may have to be determined
experimentally. In general 7=D(l + a), 7"= |Z.(1 + /S),
Pgj
two components
where a, /3 are experimental factors. Experiment also

shows that the diffracting power depends sharply on
the compaction v and p.D ((PJP )l-m) being least for a
very loosely packed coarse powder) and upon /xL and
e jii. PIP
can be very different from unity even for
crystal specimens that show no "speckling" on a
powder pattern [10]. If an absorbing binder is present,
of fractional volume v b and linear absorption coefficient 6 the derivation has to be modified by substituting v b exp(-jJL b Y) for the volume of the voids; hence
-Ai.gi.Pi
Q/.Aj.gj.pi
.(8)
re-
values of r computed by Brindley are tabulated in

Table 3.2.4C for values of ^<*/z and various Bragg
angles. Taylor [9] gives a more extensive table for
/x >/x
only.
Brindley's formula indicates that if
P-i=fi or if Ri-^0, T;= 1, so that no correcting factor is
necessary for single-substance specimens or for fine
t
ju,
particles.
LJft
P
Case 3 and Case 4. Coarse and Very

Coarse Powders: 0-1</zZ><1-0 and fiZ)>l-0
For coarse and very coarse powders the correction
factor may be most necessary, but primary extinction
may also be involved and rigorous solution of the
absorption problem is very difficult. In these cases
where Peff^P-' statistical treatment analogous to the
treatment of Schafer [8] is necessary. The particle
absorption factor may be used to estimate the effect on
the intensities in cases where 0T</xZ)<l. For these
powders the theory of Wilchinsky [10] is useful. This
[_
3.2.4.6.
l-exp{-f L(l + ff)}

'l-exp{-|/xL(l + /3)}
v[l-exp{-^D(l+a)}]
_l-[vexp{- l^D{\ + <x)}+v b Qxp{-y b D(\+oc)}] 2

....(11)
Mixed Specimen. Here each particle is supposed to

be built up of grams, each grain being of a single
component of the mixture; and each grain in turn
subdivided into
crystallites.
If the
average path length
and the grain diameter Z, then X=

|Z(1 +y) where y is a correction factor. For a laminar
in a grain
is
model, with
196
grain layers in a particle, the equation
TABLE
3.2.5
Absorption of the Elements for Neutrons (see p. 199)
Element
Atomic
number
Symbol
Cross-section
Mass
for true
absorption
absorption
a a (10- 24 cm 2 )
coefficient
fx/p
cm 2 /g
A=1-08A
H
H
Hydrogen
1
2
0-19
0-11
0-0005
0-0001
Helium
He
Lithium
Li
Li 6
40
570
3-5
49
Li 7
0-005
0-0003
24
0-00015
Beryllium
Be
Boron
Carbon
Nitrogen
11
0-048
Oxygen
0-0001
0-00001
Fluorine
0-006
0-0002
Neon
Ne
Na
10
0-2
0-006
11
0-28
0-007
Sodium
Magnesium
Aluminium
430
0-003
Mg
12
004
0001
Al
13
0-13
Silicon
Si
14
006
0-003
0-002
Phosphorus
Sulphur
15
0-09
0-002
S
CI
16
0-28
0-0055
17
19-5
A
K
18
0-4
0-006
19
1-2
0-018
Ca
20
0-25
0-0037
Sc
Ti
21
Chlorine
Argon
Potassium
Calcium
Scandium
Titanium
Vanadium
Chromium
Manganese
Cr
Mn
26
27
28
29
30
Fe
Iron
Cobalt
Nickel
Co
Ni
Copper
Zinc
Gallium
Germanium
Cu
Zn
Ga
Ge
Arsenic
Selenium
As
Bromine
Br
Krypton
Rubidium.
22
23
24
25
31
32
33
34
35
Se
Kr
19
0-33
0-25
1-8
0-044
0-033
0-021
7-6
0-083
1-4
0-015
3-5
2-8
21
0-21
2-7
0-028
2-2
0-021
0-6
0-0055
0-015
1-8
1-3
0011
2-5
7-4
0-020
0-056
3-8
0029
0-13
Zr
36
37
38
39
40
Niobium
Molybdenum
Nb
41
0-63
00006
0004
Mo
0-009
Tc
42
43
1-4
Technetium
Rb
Strontium.
Sr
Yttrium
Zirconium
197
18
0-42
0003
0-7
0-005
0-006
0-83
0-10
TABLE
3.2.5 {continued)
Absorption of the Elements for Neutrons
Element
Atomic
number
Symbol
Cross-section
Mass
for true
absorption
absorption
a a (10- 24 cm 2 )
coefficient
A=l-08
Ru
Rh
Ruthenium
Rhodium
Palladium
44
45
46
47
48
49
Pd
Cadmium
Ag
Cd
Indium
In
Tin
50
Tellurium
Sn
Sb
Te
Iodine
Silver
Antimony.
Xenon
Caesium
Barium
1-5
90
4-0
36
2650
115
0-35
h!p
cm 2 /g
A
0009
0-53
0-023
0-20
14
0-6
0002
51
3-2
52
2-7
0-016
0-013
53
3-7
0-018
Xe
54
18
0-083
Cs
55
0-077
Ba
La
Ce
56
57
17
0-6
0-0027
0-023
0-0021
0-029
Lanthanum
Cerium
Praseodymium
Pr
Neodymium
Nd
58
59
60
Promethium
Samarium
Europium.
Gadolinium
Terbium
Dysprosium
Pm
61
Sm
62
11
Eu
63
Gd
64
Tb
65
Dy
Ho
Yb
66
67
68
69
70
Lu
71
Hf
Au
Hg
72
73
74
75
76
77
78
79
80
Tl
81
2-0
0006
82
83
84
85
0-1
0-0003
0-02
000006
Holmium
Erbium
Thulium
Ytterbium
Lutecium
Hafnium
Tantalum
Tungsten
Rhenium
Osmium
Er
Ta
.
Iridium
Platinum
Gold
Mercury
Thallium
Lead
Bismuth
Polonium
Re
Os
Ir
Pt
Pb
Bi
.
Astatine
Po
At
Rn
Radon
Francium
Tm
Radium
86
87
88
89
Fr
Ra
Ac
Th
90
Protactinium
Pa
91
Uranium
92
Actinium
Thorium
198
5-3
0-48
6-7
26
700
600
19 200
26
535
40
0-11
47
6
73
0-09
2-0
0-15
100
0-36
71
0-25
22
65
0-076
0-22
61
0-20
13
11
0-044
0-036
50
016
0-028
260
0-80
0-02
57
0-17
210
0-63
300
0-79
4-1
001
21
0005
ABSORPTION
3.2.
giving the integrated intensity for the
of the mixture
z'th
component
In passing through matter a neutron beam may be

attenuated by both scattering and absorption. In
general the cross-section for true absorption a a varies
as l!v, where v is the neutron velocity. For most
elements and the wavelengths used in neutron diffraction the true absorption is of the same order as, or less
than, the apparent absorption due to scattering. This is
in marked contrast to the behaviour with X-rays, for
which the absorption due to the production of
fluorescent radiation is much larger than the apparent
is
^[l-expf-fo-L^l + ft)}]
.Jl-exp{-fÎ,(l + ft)}]J
ViPi
/\k
l-exp{-|^.Z(l+y)}
"A
X
v*.
(pexp{- lLiZ(\+y)}
2G
D,
pexp
1-
Absorption for Neutrons
3.2.5.
-^(l+r)
absorption due to scattering.
-{v(2êxp{-|^|(l+r)
+ 1-
the linear-absorption coefficient of a material,

then ix=I*<j ai Ni where a a = absorption cross-section of
= number of atoms of the element per
the atom,
If
(12)
is
/x i
average
the
linear
absorption
coefficient for the sample.
In this form the first square bracket is the value of

P /P oi for an ideal mixed powder. The second square
2
bracket gives the crystallite factor, as in equation (10).

The third square bracket gives the grain factor, the
value of which -1 as Z->0. The last square bracket
dependent also on the

value of G and hence on the grain size; as X~>0, so
this term assumes the same form as the particle factor
gives the particle factor, but
is
is
cm 3
where /i=Sv
and the summation
types of
atom
Crystallite Size Statistics.
In Table 3.2.5 the values of a a and pjp, where p is

the density of an element, are given for a neutron
wavelength of 1-08 A, which is about the most
generally-used wavelength for neutron diffraction. For
any other wavelength the values can be obtained using
the l/v law.
Corrections of diffraction intensities for absorption
can be made in the same way as for X-rays, though in
general it will be found that the variation of the cor-
absorption will be the
The problem of variation
and
of crystallite size is partly that of adaption of technique in order to obtain an effective average (see
to scattering
references
experimentally.
convenient
[2] [5] [6] [12]).
3.2.
[14]
M. Phys.
[1]
Allen,
[2]
Idem.
Ibid., 27, 266, 1926.
[3]
Idem.
Ibid., 28, 907, 1926.
[4]
Idem.
Ibid., 37,
[5]
Idem.
Ibid., 45, 122, 1934.
[6]
Idem. Tables in Ref.
Rev., 24,
1,
1924.
Andrews, C.
L. Phys. Rev., 54, 994, 1938.
[9]
Bearden, A.
J.
Amer. Phys. Soc.
[11]
Bethe, H. A., and Salpeter, E. E. In Encyclopaedia

of Physics, ed. S. Flugge, Band XXXV, Atoms
Idem.
Ibid., p. 236.
Ibid., p. 527.
Idem.
Ibid., p. 662.
[20] Idem.
Ibid., p. 667.
[21]
Ibid., (II), 4, 66, 1959.
sity,
and Barth, H. Nature, Lond.,
Ann. Phys., Lpz.,
8-30 keV. AFOSR

(The Florida State Univer-
A.
In Landolt-Bornstein,
Ref.
[39],
809. (Springer, Berlin,
1955).
[23] Idem.
(5),
An Experimental Study of X-ray
Coefficients,
Band I, Teil 4 {Kristalle), p.
184, 264,
Hermann, C, and
X.
Tallahassee, 1958).
[22] Faessler,
Brill, R., Grimm, H. G.,

CI.
Deslattes, R. D.
Report TN-58-784.
1959.
[13]
X et des Discontinuites d''Absorption
Attenuation
Idem.

[18] Idem.
[19]
(II), 3, 29,
[10]
[12] Brill,
coefficient
effective
[17]
1958.
pp. 171, 381.
the
[16]
[16], p. 799.
Idem. Tables in Hodgman, C. D. Handbook of

Chemistry and Physics. (Chemical Rubber Publ.
Co., Cleveland, Ohio, 41st ed., 1959-60).
[8]
the components due

and it is usually
(Hermann, Paris, 1947).

Chipman, D. R. /. Appl. Phys., 26, 1387, 1955.
Theory and Experiment, (van Nostrand, New
York, 1960).
[15]
(I),
measure
Emissions
456, 1931.
Bull.
to
sum of
true absorption,
References
3.2.1.
[7]
the different
rection with angle of scattering is negligible. For

powdered or polycrystalline materials the effective
in equation (10).
S. J.
made over
is
in the material.
Peters,
[24]
Ibid., p. 847.
Fano, U. Nucleonics,
p. 55, 1953.
34, 393, 1939.
199
11,
No.
8, p. 8,
1953;
No.
9,
REFERENCES
[25]
W. X-ray Attenuation
lOkeV to 100 Me V. NBS
Grodstein, G.
from
Coefficients
Circ.
Siegbahn, K.
[52]
583.
(United States Dept. of Commerce, Washington,

1957).
[26]
[27]
[28] Idem.
[31]
[I]
W.
Ibid., p. 215.

Emissions
X et des Discontinuites d' Absorption X.
(Hermann,
[2]
Hewlett, C. W. Phys.
Phys., Lpz., (5), 36, 681, 1939.
3.2.2.
The Quantum Theory of Radiation,

pp. 194, 204, 362. (Oxford University Press,
Oxford, 1954).
[30] Idem.
Gamma-ray Spectroscopy,
(North-Holland Publ. Co., Amster-
197, 1934.
Ibid., p. 367.
[29] Heitler,
dam, 1955).
Wrede, W. Ann.
[53]
Grosskurth, K. Ann.Phys., Lpz., (5), 20,

Hall, H. Rev. Mod. Phys., 8, 358, 1936.
Beta- and
pp. 24, 857.
Rev., 17, 284, 1921.
Paris, 1947).
Compton, A. H., and Allison, S. K. X-rays in Theory

and Experiment, (v. Nostrand, New York, 3th
1
[32] Idem.
Ibid., 19, 265, 1922.
[33] Idem.
Ibid., 20, 688, 1922.
[34]
Hopkins,
R.
[35] James,
J. I.
/.
[3]
Appl. Phys., 30, 185, 1959.
W. The
of X-rays.
repr. 1960).
[4]
Optical Principles of the Diffraction
(Bell,
London,
1958).
Jonsson, E. Thesis (Uppsala, 1928).

[37] Klein, O., and Nishina, Y. Z. Phys., 52, 853, 1929.
[38] Kustner, H. Z. Phys., 70, 324, 1931 70, 468, 1931
[36]
Roof, R. B., Jr. Phys. Rev., 113, 820, 1959.

Victoreen, J. A. J. Appl. Phys., 19, 855, 1948.
[6]
Idem.
Idem.
[7]
Walter, B.
[5]
Ibid., 20, 1141, 1949.

Ibid., 14, 95, 1943.
Fortschr. Rontgenstr., 35, 929, 1308, 1927.
3.2.3.
77, 52, 1932.

[39]
[1]
Landolt-Bornstein,
Herausgeber A.
Eucken.
Zahlenwerte und Funktionen aus Physik, Chemie,
Astronomie, Geophysik und Technik, Band 1
{Atom- und Molekular Physik), Teil 1 (A tome,
Ionen), p. 314.
[40] Idem.
[41]
[42]
[43]
[46]
Cryst., 9,
A. X-Ray Crystallographic
(Hilger and Watts, London, 1952).
Guinier,
Technology.
[1]
Alexander,
L.
and Klug, H.
P.
Analyt. Chem., 20,
P.
and Kummer,
886, 1948.
[2]
Alexander,
/.
L.,
Klug, H.
E.
Appl. Phys., 19, 742, 1948.
Commerce,
[4]
Milledge, H. J. (Private communication.)

I. Ann. Phys., Lpz., (5), 32, 625, 1938.
Nelms, A. T. Graphs of the Compton Energy-Angle
Relationship and the Klein-Nishina Formula from
[5]
Brindley, G. W. Phil. Mag., 36, 347, 1945.

Grenville-Wells, H. J. and Lonsdale, K. Bull.
Nat. Inst. Sci. India, No. 14, 130, 1959.
Mack, M. and Spielberg, N. Spectrochim. Acta
[6]
Mitra, G. B. and Wilson, A.
Dept.
of
[3]
12, 169, 1950.
Muller,
keV
10
[47]
North,
[48]
Roof, R.
[49] Idem.
[51]
U. Cryst., Acta
3.2.4.
Laubert, S. Ann. Phys., Lpz., (5), 40, 553, 1941.

Lonsdale, K. Miner. Mag., 28, 14, 1947.
McGinnies, R. T. X-ray Attenuation Coefficients
from 10 keV to 100 MeV. Suppl. to NBS Circ.
to
500
States Dept. of
[50]
[2]
(United States
Washington, 1959).
[45]
I.
520, 1956.
Ibid., p. 215.
583.
[44]
Apparatus Commission
P. P.
MeV. NBS
Circ. 542.
Commerce, Washington,
[7]
(United
[8]
1953).
[9]
(Private communication.)
B., Jr.
J.
C.
Brit. J. Appl.
Phys., 11, 43, 1960.
Rusterholz, A. Helv. Phys. Acta, 4, 68, 1931.

Schafer, K. Z. Phys., 86, 738, 1933.
Taylor, A. Phil. Mag., 35, 215, 404, 1944; Introduc-
[11]
X-ray Metallography, pp. 350-58. (Wiley,

Yoik, 1961).
Wilchinsky, Z. W. Acta Cryst., 4, 1, 1951.
Wolff, P. M. de, Physica, 13, 62, 1947; Thesis.
[12]
Wolff,
tion to
Phys. Rev., 113, 820, 1959.
New
Ibid., 113, 826, 1959.
[10]
Richtmyer, F. K., and Kennard, E. H. Introduction

to Modern Physics, p. 536. (McGraw-Hill, New
York, 1954).
Schulz, K. Ann. Phys., Lpz., (5), 27, 1, 1936.
(Delft, 1951).
/.
200
P. M. de, Taylor, J. M.
Appl. Phys., 30, 63, 1959.
and Parrish, W.
3.3.
Atomic Scattering Factors for X-rays (corrected
3.3.1.
November 1961)
The coherent scattering of X-rays from an atom
to
may
be described in terms of the atomic scattering
factor /, which is the ratio of the amplitude of the

radiation scattered by the atom to the amplitude of the
radiation which an electron would scatter under the
same conditions according to the classical theory.
(See James
[4]
is not always reflected in the selection of the

data for Table 3.3. 1A. Other factors, e.g. the availability and numerical accuracy of the scattering-factor
data, were also considered. On the other hand, all the
atomic scattering factors of Table 3.3.1 A were based
on those approaches to the calculation of atomic wave
ference
Atomic scattering factors

listed above.
obtained experimentally or by interpolation methods
have not been included in the table. The reasons for
functions
for a detailed discussion of such scatter-
this are twofold.
ing and of the atomic scattering factor.) The atomic

scattering factor is a function of the electron density of
the atom. Since the density function is known exactly
of atomic wave functions, and it is reasonable to

suppose that many of the gaps to be found in Table
3.3. 1A will be filled in the near future.
Another general approach to the calculation of
only for the hydrogen atom, scattering factors for all

other atoms are approximate, and are reliable only in
so far as the electron-density function employed in
their calculation is a reliable representation of the true
density function. The various methods of approxi-
mating the
is the statistical one, either by the

Thomas-Fermi or the Thomas-Fermi-Dirac methods.
The latter method includes the effects of exchange and
atomic structures
wave function (and hence the electron

atom are discussed in the
and here we only mention those methods
total
density function) of an
literature,
upon which
is
of the statistical approach

In Table 3.3. IB are
presented atomic scattering factors based on the
Thomas-Fermi-Dirac statistical model.
are to be found in
Improvements in wave functions are generally

judged in accordance with the variation principle by
minimization of total energy. It is by no means true
that those wave functions which lead to the lowest
energy, and hence are "best" in that sense, are necessarily the most reliable ones for the calculation of
atomic scattering factors. Nevertheless, the energy
were generally selected according to the

3.3.1
following order of preference of the wave functions
(1) Boys' analytic approach [1]; (2) improved (e.g. by
considering correlation effects) Hartree-Fock selfconsistent fields with exchange; (3) Hylleraas-Eckart
type analytic wave functions; (4) Hartree-Fock selfconsistent fields with exchange; (5) Hartree selfconsistent fields (6) Slater-type analytic wave functions
;
determined
from
the
variation
principle. (See [3] [5] for a thorough discussion of many

of these approaches to the calculation of atomic wave
functions.)
It
should be noted that
this
[6]
[8].)
First, the atoms are assumed to be at rest. Second,

with only a few exceptions so noted in Table 3.3.1 A,
the atoms are assumed to be in their ground states.
Third, it is assumed that the frequency of the scattered
radiation is large in comparison with the transition
frequencies within the atom. Fourth, the electron
density of the atom is assumed to be spherically symmetric, and in the case of atoms known to be aspherical, the values of Tables 3.3. 1A and B are mean
atomic scattering factors.* In the case of aspherical
atoms the atomic scattering factor is a function of the
orientation of the atom, but such so-called orientation
effects are important only in the later stages of refinement of a crystal structure [7]. Therefore, orientation
effects are considered to be outside the immediate
purpose of the present tables; however, in Table
is a useful one, and there is no evidence at

present to suggest that wave functions selected on such
a criterion will lead to inferior atomic scattering
factors. Accordingly, atomic scattering factors for
parameters
[2]
The atomic scattering factors of Tables 3.3.1 A and B

embody certain assumptions that are worth noting.
criterion
with
generally believed to lead to better electron distribu-
tions. (Relevant discussions
the atomic factors in the following tables
are based.
Table
First, it is generally quite difficult to
assess the reliability of such atomic scattering factors;

second, there is widespread interest in the calculation
3.3.1
order of pre-
literature.
Averaged over orientation.
201
atoms for
have been considered in the
there are indicated those aspherical
which orientation
effects
Mean Atomic
Scattering Factors, in Electrons
For meanings of sy
Element
H"
1
1
He
He"
Li
2
2
3
Li +1
Li- 1
Be
Be +1
Be+ 2
3
3
6
6
C+
C
C
+3
+4
N +3
N +4
N-i
6
6
6
7
7
7
7
0+2
0+3
8
8
8
8
o +i
1
F- 1
Ne
10
Na
11
Na+
11
Mg+2
12
12
Mg
Al
13
A1+ 1
A1+ 2
13
13
A1+ 3
13
Si
14
Si+ 3
Si+ 4
14
14
15
s- 1
s- 2
CI
16
16
16
17
ci-
Ql
AX
SX 12(27)
AX AXCU 56
AXCU2+
AXCU 56
17
\AX AXCU 56
AXCU 56
005
010
1000
2000
0-947
1-566
2O00\
3000/
015
0-20
0-25
0-30
0-811
0-641
1064
0-742
0-481
0-519
0-350
0-364
0-251
0-255
1-955
1-832
1-654
1-452
1-249
1058
000
2-710
1-983
2-881
2-215
1-935
1-904
1-859
1-888
1-741
2000
4000
1-760
1-743
1-627
1-645
1-629
1-521
30)
31a)
SXC 54
SX 14(30)
SXC 54
SX9+17
SX 17
SX 70
SX 33
SX 61
SX 61
SX70
SX 36
SX 19(36)
SX 70
SXC69
SXC69
AX 3a
3-706
3067
2-469
2067
1-838
1-705
2-877
2-583
1-966
2-267
1-925
2017
1-843
1-802
1-721
000
4-726
3-852
2-933
4066
3-325
2-994
2-524
1-954
2-711
2-551
2-276
2-205
2-088
1-875
1-993
1-962
1-928
1-824
(2-976)
(2-956)
2-502
(2-506)
\AX 3a
JSX 33
\S(X2p) 16
/SX 32, SX 58
\AX
3,
S(X2p) 16
AX^*6
000
2000
7000
4000
3
8
000
000
000
2-757
1-979
(5-760)
(5-750)
(5-093)
2-958
1-996
3-686
2-842
1-986
6-781
3-941
2-971
7-796
9000
\AX-^16
AX-46
AX^6
/(S)X 33 + 34a
5-126
10000
9-834
10-56
9-884
1-869
2-290
1-919
3-581
1-724
(4-358)
(4-313)
(3-561)
2-676
1-969
2-992
2-487
1-945
2-300
1-914
2-338
2-133
1-880
6-203
3-772
2-890
6-688
5-420
3-523
2-768
4-600
3-227
2-619
3-856
2-922
2-461
3-241
2-635
2-306
7-250
6-493
5-647
4-760
7-836
6-482
3186
4-631
8-293
9-763
10000
3-471
1-995
10000
1100
/SX 30
5-634
5-298
4-776
4-814
4094
4017
3-771
4151
3-410
5-756
4068
6-691
5044
9108
8-174
7-126
6103
5-188
9-363
8-661
7-824
6-942
6-087
9-76
902
8-34
7-62
6-89
9-551
9035
8-390
7-670
6-925
8-75
8-75
8 09
8-15
7-46
1200
1000
11-52
9-91
10-50
9-66
9-53
9-26
1300
7-51
12-44
11-23
1006
916
8-47
7-88
1200
1100
10-84
10-94
10-40
9-81
9-22
9-17
8-55
7-90
7-95
1000
9-93
9-74
9-43
901
8-52
7-98
\AX-46
1400
13-45
1216
10-79
9-67
8-85
8-22
AX-46
1100
1000
9-95
10-53
9-79
9-54
9-48
9-20
8-79
8-34
8-33
AX-46
1500
14-47
1317
11-66
10-34
9-33
8-59
AX46. SX70
1600
1700
1800
15-54
16-45
14-33
8-99
8-95
(15-16)
11-21
11-36
(10-74)
9-93
9-95
(17-19)
12-75
13-14
(12-73)
(9-45)
(8-66)
\AX-^6
SX 35
/SX 33
\S 18, AX46
/(S)X 34(3p)+36
AX^t6
SXC 69
SXC 55(69)
6000
6000
4000
1-991
7000
6000
5000
9000
/S(X2p) 16
1-514
3000
2000
5
AX 3a
AX
AXCU 56
AXCU
AX
2176
1-512
4000
3,
SX 30a
SX 8 (15,
SXC 31
SX 31a
SX 31a
SX 31a
SX 32a
SXC 54
o-oot
4000
3000
2000
SX 6 (29)
SX
SX29
AXCU 56
AXCU 56
(28)
AX 3a
SXC
AXCU 56
AXCU 56
AXCU
SX29
SX7 (14,
3,
SX27
/SX 13
SXC-4
(valence)*
work
AXCU2+
AXCU2+
AXCU 56
AXCU 56
AXCU2+
B+2
B+3
Other
reference
4
4
5
5
5
Method
B +1
C
C
AX-^16, SX70
/SX20(37), SX 70
\AX46
202
1500
1700
16-55
15-33
13-68
12-00
10-55
9-44
1800
17-46
1602
14-12
12-20
10-60
9-40
nsistent or Variational
l
Wave
Functions
of Table
(sin 0)/A
(A- 1 )
1-40
1-50
1-60
1-80
1-70
1-90
0-50
0-60
0-70
0-80
0-90
100
110
0071
0070
0040
0040
0024
0024
0015
0015
0010
0010
0007
0007
0005
0005
00035
00035
00026
00026
00019
00019
00015
00015
00012
00012
00010
00009
00007
00007
00006
00006
0-515
0-358
0-251
0179
0129
0095
0071
0054
0041
0032
0025
0020
0016
0013
0011
1032
1025
1033
0-823
0-818
0-826
0-650
0-647
0-654
0-513
0-510
0-516
0-404
0-403
0-408
0-320
0-319
0-323
0-255
0-254
0-257
0-205
0-203
0-205
0164
0163
0133
0108
0089
0074
0061
0051
1-367
1-201
1031
0-878
0-738
0-620
0-519
0-432
0-365
1-362
1-363
1-188
1-022
1180
1009
0-870
0-855
0-735
0-721
0-618
0-606
0-520
0-508
0-436
0-427
0-367
0-359
0-302
0-255
0-216
0184
0157
0135
1-534
1-536
1-552
1-566
1-406
1-410
1-414
1-420
1-276
1-283
1-278
1-274
1147
1154
1144
1016
1028
1016
1-132
0-999
0-895
0-908
0-896
0-877
0-783
0-798
0-786
0-767
0-682
0-698
0-687
0-669
0-596
0-610
0-599
0-582
0-507
0-441
0-384
0-335
0-293
0-256
(0-896)
(0-803)
0-913
0-893
0-838
0-820
0-800
1-426
1-685
1-536
(1-712) (1-553) (1-434)
1-672
1-429
1-533
1-697
1-564
1-447
1-692
1-579
1-459
1-322
1-218
1114
1012
(1-322)
1-332
1-335
1-338
(1-207)
1-233
1-225
1-219
(1-096)
1-131
(0-993)
1-444
1-350
1-373
1-375
1-352
1-263
1-287
1-281
1-263
1-462
1-296
1-296
11 16
1104
1030
1012
0-994
1117
1051
0-988
0-926
0-866
1-504
1-419
1-346
1-280
1-218
1158
1098
1040
0-983
1-367
1-304
1-245
1190
1136
1083
1-57
1-48
71
1-60
1-89
1-75
2-35
211
1-91
1-76
1-735
1-587
1-481
1-396
2-885
2-323
1-972
1-747
1-596
1-486
3-536
2-794
2-300
1-976
1-760
1-612
1-188
1170
1-301
1-308
1-294
4-29
3-40
2-76
2-31
200
1-78
1-63
1-52
1-44
4-328
3-424
2-771
2-314
2001
1-785
1-634
1-524
1-438
501
406
403
3-30
3-28
2-72
2-71
2-30
2-30
201
201
1-81
1-81
1-65
1-65
1-54
1-54
1-69
5-69
4-71
3-88
3-21
2-71
2-32
205
1-83
5-70
5-70
4-71
4-71
3-88
3-88
3-22
3-22
2-70
2-71
2-32
2-33
204
205
1-84
1-69
5-69
4-69
3-86
3-20
2-70
2-32
2-04
1-84
1-69
6-24
5-31
4-47
3-75
316
2-69
2-35
207
1-87
6-25
6-26
5-30
5-28
4-44
4-42
3-73
3-71
3-14
3-13
2-67
2-68
2-34
2-33
206
1-86
6-67
5-83
02
4-28
3-64
311
2-69
2-35
210
4-15
07
08
2-66
2-67
2-34
2-34
(2-71)
(2-37)
7-05
6-31
705
6-32
5-56
5-57
4-82
4-83
416
3-56
3-57
(7-22)
(6-47)
(5-69)
(4-93)
(4-23)
(3-62)
(3-13)
400
400
3-47
02
2-65
3-47
303
2-65
5-27
4-60
5-27
4-61
0-404
1183
1-958
5-96
0-451
1-252
2-312
5-97
0-508
1-322
1-462
2-878
6-64
0-568
1-399
1-710
1-374
1-374
1-378
1-382
1-373
6-64
0-427
0-638
1144
1-566
1-567
1-568
1-562
1-566
7-29
0-536
0-673
0-713
1-220
1-714
1-717
1-716
7-28
0-419
1005
1027
1009
1-944
1-956
1-948
1-913
1-934
4-99
0-524
0-659
1083
2-338
2-356
2-327
2-246
2-313
1-701
0-821
1-112
1-097
1-550
1-558
1-573
1-551
1-461
1-463
1-463
0-166
1-175
1-698
1-682
1-690
1-694
1-472
1-446
1-30
1199
1-944
1-869
1-837
1-929
1-461
1-20
203
108
119
1-31
63
1-54
Mean Atomic
Scattering Factors, in Electroi
For meanings of
E Iement
Method
Other
reference
work
o-oot
005
010
015
0-20
0-25
0-30
17-54
16-30
14-65
12-93
11-42
10-20
16-73
16-68
15-30
13-73
13-76
12-27
10-97
10-96
14-32
14-35
14-40
12-98
11-71
15-39
15-43
15-27
14-92
13-82
13-86
13-82
13-63
12-39
12-43
12-44
12-38
14-58
14-76
14-6S
14-48
13-20
13-25
13-25
1316
18
SX 21
AX-^16,
19
19
SX 38
SX21(39)
AX-46
18 00
17-65
20
20
20
AX-46
2000
1900
1800
1909
SX-^0
21
21
21
21
SX 67a}
SX 67a}
SX67a
SX 67a
21-00
20-28
19-59
Ti+
Ti+ 3
22
22
22
22
SX 68
SX 67aJ
SX 67a
SX 67a
V+i
23
23
A
K
K +1
Ca
Ca +1
Ca+
Sc
Sc +1
Sc+ 2
Sc+ 3
Ti
T j+i
2
SX 70
1900
SX 22(40)
sx-^to
18 00
17-33
17-21
16-93
15-73
17-04
11-70
11-70
19 00
18-71
18-72
18-50
17-88
1800
17-77
17-11
1612
SX 67a}
2200
19-41
19-52
18-86
1607
21-00
21-17
20-60
19-70
18-76
17-65
(S)X 41a
1803
16-39
17-63
1619
18 09
1706
15-82
22-21
21-61
20-47
20-54
18-68
1703
2200
1905
17-37
15-49
15-69
1403
1411
21 00
20-70
19-86
18-62
17-14
15-60
1410
2000
19-76
1907
18 03
16-76
15-37
13-99
2400
21-93
21-58
20-87
2017
2010
18-37
18-40
19-62
1813
1501
1503
15 00
2007
1902
17-72
16-64
16-68
16-55
16-30
14-87
1906
17-41
17-65
15-84
15-96
2000
2000
19 00
1703
16-68
Y+2
y+3
23
SX 68
SX 67a
SX67a
SX 67a
24
24
24
24
SX 68
SX67
SX 67a
SX 67a
SX 67a}
Cr +1
Cr+ 2
Cr+ 3
2200
2100
23-39
22-62
21-70
20-76
SX68
SX67aJ
(S)X41, SX 67a J 25 00
(S)X 41a
2400
24-26
23-63
22-61
Mn +1
25
25
22-60
20-79
21-12
23 00
22-71
21-89
20-66
1916
17-55
15-94
2200
21-07
20-22
2002
18-71
21 00
21-76
20-80
19-32
18-18
17-26
16-90
15-78
15-55
26-00
25-30
23-68
21-85
2009
18-40
16-77
2500
2400
24-64
23-71
22-76
21-80
23-63
22-89
22-09
21-22
2216
20-45
18-66
21-66
2015
21 04
20-31
19-72
18-51
18-25
1915
17-84
16-92
16-87
16-74
16-46
26-33
25-65
24-72
23-77
24-74
24-66
2113
19-41
19-67
23
Cr
Mn
Mn+
Mn+ 3
Mn+ 4
Fe
Fe +1
Fe+ 2
Fe+ 3
Fe+ 4
Co
25
SX-^5
25
25
SX 67a
26
SX68
SX67aJ
SX67a
SX-^15
SX 67a
SX 68
SX 67a
SX 67a
SX 67a
SX 68
SX67a
SX67a
SX67a
26
26
26
26
Co +a
27
27
27
27
Ni +1
Ni+ 2
Ni+ 3
28
28
28
28
Co +1
Co+ 2
Ni
Cu
29
Cu +1
29
Cu+ 2
Cu+ 3
29
29
Zn+ 2
30
30
Zn
Ga
31
Ga +1
Ga+
Ge
Ge+ 2
Ge+ 4
31
31
32
32
32
SX 67}
23 00
/SX 57
\(S)X-41a
23 00
S 23
fSX 67
\(S)X-42
(62)
SX-^15
fS 52, SX67a}
\SXU 53a
SX 67
23 00
22 00
SX 67a}
2700
2600
S 59
25 00
24-00
SX 67a}
2800
2700
2600
SX 68
fSX24
\SX-45
SX67
SX 67
SX68
SX67
S25
SX 71
SX 71
SX^5
SX 71
SX71
23-99
24-26
25 00
2410
2305
22-55
22-21
21-72
20-44
20-72
20-54
20-22
18-73
18-90
18-83
18-65
2900
28-49
27-19
25-49
23-63
21-75
19-90
27-67
26-71
25-30
23-59
21-76
19-92
27-00
26-73
25-77
25-95
25-11
24-75
24-07
23-24
22-75
21-57
21-24
19-84
19-65
29-39
27-73
27-92
26-96
26-14
25-77
24-33
24-27
22-54
22-60
20-77
20-86
30-30
29-55
27-78
28-65
28-35
27-12
26-76
26-74
2316
2610
24-92
24-98
24-78
21-47
21-50
21-65
3000
31-28
29-64
28 00
27-81
29-52
28-64
27-25
27-48
27-21
26-35
31
00
3000
S-43
28 00
S 26
32-00
204
23-71
19-52
19-23
17-74
17-89
17 84
17-68
28-00
3000
SX-^15
2219
25-80
25-69
24-93
28 00
S 25(43)
S 43
23 09
21-49
21-17
20-71
27-35
26-66
25-72
24-77
2600
SX-45
23-91
22-92
23-20
22-68
22-04
19-42
25-53
25-58
2519
23-22
23-27
23-76
23-89
23-82
2211
22-22
22-32
(continued)
I
Wave
Functions
of Table
(sin 0)/A
(A- 1 )
0-50
0-60
0-70
0-80
0-90
100
110
1-20
1-30
7-56
6-86
6-23
5-61
501
4-43
3-90
3-43
303
7-87
7-86
7-11
7-11
6-51
6-51
5-95\
5-94/
5-39
4-84
4-32
3-83
3-40
2-71
2-20
1-84
8-26
8-26
8-25
7-38
7-38
7-38
6-75
6-75
6-75
6-21
6-21
519
519
4-69
4-68
4-68
4-21
3-77
3-77
3-77
303
6-22
5-70
5-70
5-70
2-44
2-44
2-44
203
203
203
8-60
7-64
7-64
7-65
7-67
6-98
6-98
6-98
6-98
6-45
6-45
6-45
6-44
5-96
5-96
5-96
5-96
5-48
5-48
5-48
5-49
5
5
00
00
409
409
410
3-68
3-68
3-69
02
4-53
4-53
4-54
4-56
4-12
370
7-98
7-95
7-96
7-99
7-22
619
5-29
5-28
5-28
5-29
4-84
4-83
4-84
4-85
401
6-18
6-18
6-18
5-72
5-73
5-73
5-73
4-41
4-40
3-99
4-41
7-22
6-65
6-66
6-66
6-65
400
402
3-64
3-62
3-62
3-64
9-63
9-57
8-34
7-48
7-47
6-86
6-87
6-39
6-39
5-94
5-95
5-53
5-52
510
510
4-71
8-31
4-30
4-29
3-93
3-91
9-61
8-32
7-47
6-86
6-38
5-95
5-52
511
4-69
4-29
3-91
4-70
4-30
3-93
418
418
419
4-98
4-42
8-61
8-64
8-68
912
9 06
910
914
7-21
7-21
5-18
501
5
4-42
4-69
1-40
1-50
03
303
8-36
7-48
6-87
6-38
5-95
5-53
1014
1013
1018
10-22
8-72
8-71
8-74
8-77
7-75
7-75
7-76
7-78
709
709
709
709
6-58
6-58
6-58
6-58
614
614
614
614
5-74
5-74
5-72
5-74
5-34
5-34
5-34
5-34
4-94
4-94
4-95
4-96
4-55
4-55
4-56
4-57
4-20
10-80
10-75
9-20
9-17
8 09
808
7-32
7-33
6-77
6-78
6-32
6-33
5-93
5-93
5-54
5-55
5-18
5-17
4-80
4-80
4-45
4-44
10-80
919
8 09
7-33
6-77
6-33
5-93
5-55
5-17
10-84
10-84
9-23
9-25
8-12
8-13
7-34
7-35
6-78
6-79
6-32
6-34
5-93
5-94
5-55
5-56
5-18
4-81
4-45
11-47
9-71
8-47
7-60
6-99
6-51
6-12
5-74
5-39
5 03
4-69
11-41
8-45
8-46
8-48
8-52
7-60
7-60
6-52
611
611
503
4-67
4-68
700
611
5-38
5-38
5-38
5-38
02
7-64
5-74
5-74
5-74
5-74
7-61
6-99
6-99
6-99
11-51
9-67
9-69
9-73
9-77
04
4-69
1217
10-26
7-91
7-91
12-17
10-21
10-25
12-21
10-29
8-88
8-85
8-87
8-90
7-92
7-22
7-22
7-22
7-22
6-70
1211
6-29
6-29
6-29
6-28
5 91
5-91
5-91
5-91
5-58
5-56
5-56
5-56
5-23
5-22
5-22
5-23
4-90
4-88
4-89
4-89
12-91
10-85
10-80
10-84
10-88
9-33
9-31
9-32
9-36
8-25
8-24
8-25
8-26
7-48
7-48
7-48
7-48
6-90
608
608
608
608
5-75
5-73
5-74
5-73
5-41
6 91
6-90
6-47
6-46
6-46
6-46
5-40
5-40
508
508
5-41
5 09
5-57
5-25
12-86
12-91
12-95
7-91
6-52
6-52
6-71
6-71
6-70
6-91
612
09
11-44
9-80
8-61
7-76
7-13
6-65
6-25
5-90
13-66
11-45
9-80
8-61
7-75
7-12
6-64
6-24
5-89
13-70
13-74
11-47
11-53
9-82
9-86
8-62
8-64
7-76
7-77
7-13
7-13
6-65
6-64
6-25
6-24
5-90
5-89
5-57
5-57
5-26
5-26
14-51
1216
904
904
8-08
8-07
7-37
7-36
6-84
6-83
5-43
6-41
607
605
5-73
12-18
10-37
10-37
6-42
14-54
15-38
15-37
12-95
12-94
12-94
02
9-54
9-54
9-53
8-46
8-45
8-44
7-64
7-65
7-64
705
11-02
11-00
6-21
6-21
6-21
5-88
5-88
705
6-58
6-58
6-58
5-58
5-58
5-58
11-68
11-68
11-66
1008
1008
1006
8-87
8-87
8-85
7-96
7-97
7-96
7-29
7-29
7-29
6-77
6-37
6-37
6-37
602
603
15-41
1619
1618
16-26
13-72
13-71
13-72
7-05
678
6-78
1-90
519
13-65
11
1-80
3-32
3-33
9-65
6-51
1-70
3-31
3-31
5-11
11-46
11-50
1-60
205
5-72
5-72
Mean Atomic
Scattering Factors, in Electro
For meanings of
ement
As
As+ 3
As i5
33
33
33
33
33
Se+ 6
34
34
As +1
As+ 2
Se
Br
Br+ 7
Br
35
35
35
Method
Other
references
work
0-OOf
005
010
015
0-20
0-25
0-30
32-27
26-20
25-85
25-86
25-79
24-34
SX-45
28-00
27-83
30-47
29-79
29-33
28-74
27-34
28-29
S43
3300
3200
3100
3000
26-55
25-51
24-27
22-69
22-38
22-43
22-47
22-89
33-27
27-85
31-43
27-42
29-13
26-71
26-91
25-78
24-95
24-65
23-24
23-38
3006
27-70
26-85
2600
3013
27-65
25-61
24-97
25-54
23-82
23-80
23-76
26-30
25-25
24-40
24-17
SX 71
S
43
S^*3
SX 71
3400
SX--45
28 00
SX 71
3500
2800
3600
34-29
27-87
3508
32-43
27-48
32-81
3600
35-30
27-88
33-44
27-53
3600
3600
4100
35-43
35-60
4700
4600
46-14
45-38
7400
7800
76-98
78-72
SX-45
SX 71
36
36
SX 71
Rb +1
37
Zr+ 4
40
42
SX 71
S 63
Kr
Kr- 8
Mo
+1
Ag
S49 +
SR 10
S 51(11)
81
81
S^44
S-44
8000
82
92
S66
S 65
790
8600
74
79
Hg+ 2
u+ 6
S 18
80
80
Au +1
T1+ 1
T1+ 3
p b +3
28 00
S-48
47
47
Hg
SX 57
SX-45
SX 60
SX 57
S 50+
S 64
Ag+*
S 25(43)
8000
7800
S-^7
3101
28-53
26-96
2619
33-87
34-47
37-95
31-70
32-79
29-33
30-80
32-53
27-08
28-71
25 08
26-70
27-83
43-88
43-68
40-88
41-20
37-68
38-31
34-60
35-33
31-78
32-48
74-22
70-42
61-58
66-24
6211
54-59
58-24
75-48
74-71
71-37
6907
75-87
75-03
78-00
78-3
85-15
760
82-77
67-14
67-21
63 09
67-80
67-94
72-6
79-29
68-8
75-23
64-8
71-07
59-31
59-18
59-82
59-94
60-9
6710
Notes to Table 3.3.1A
Method
Q
S
(S)
X
R
A
C
quantum mechanical wave function.

indicates the wave functions obtained by the method of the self-consistent field.
indicates that only approximate self-consistency was achieved. See the original reference for the nature of the approximation
indicates that exchange effects have been taken into account in the calculation of the wave functions; in some cases, as
noted, only in the calculation of certain of the wave functions.
indicates that relativistic effects have been taken into account in the calculation of the wave functions.
indicates analytic wave functions with parameters determined by use of the variation principle.
indicates that correlation effects have been taken into account in the calculation of the wave functions (see [5]).
indicates that the wave functions are derived without the restriction that the radial wave function shall be taken the same
for all wave functions of the same group.
signifies exact
References
+
a
(
indicates extensive additional data given in the original reference.

indicates that data in original reference allow calculations of the scattering factor as a function of the orientation of this
aspherical atom.
indicates that the same wave functions have been transformed to yield identical results for the scattering factor in this
reference also.
206
(continued)
Wave
i
Functions
of Table
(sin 0)/\
(A- 1 )
0-50
0-60
0-70
0-80
0-90
100
110
16-95
16-56
16-54
16-52
17-07
14-48
12-37
1409
1407
918
917
917
8-32
8-23
8-23
8-23
14-49
12-34
9 31
8-31
7-57
7-52
7-52
7-52
7-56
6-98
1207
1206
1204
10-67
10-44
10-43
10-42
10-63
9-34
1411
17-63
17-82
15-20
15-25
1306
1304
11-27
11-23
9-83
9-80
8-71
7-86
7-87
18-27
18-53
18-27
15-91
15-98
15-91
13-78
13-74
13-77
11-93
11-85
11-92
10-41
10-33
10-40
919
913
918
10-97
10-88
9-66
9-59
8-62
8-58
7-81
11-56
12-98
1017
905
11-51
1409
12-59
10-24
11-25
815
907
1009
8-70
1-30
1-40
1-50
617
5-86
5-88
5-88
5-88
6-99
6-54
6-55
6-55
6-55
6-54
7-21
7-23
6-72
6-73
6-31
5-99
8-24
7-51
616
7-50
7-50
6-95
6-95
6-95
6-51
8-21
6-50
616
7-19
7-18
6-70
6 31
7-46
8-32
6-92
6-49
910
8-26
7-62
8-24
1-20
18-82
19-17
16-54
16-68
14-44
14-42
12-57
12-48
19-34
20-56
21-47
1711
15-06
16-42
17-43
1319
23-81
21-37
21-42
19-51
2402
17-96
17-89
16-52
16-48
1516
1514
13-86
13-86
12-62
12-63
11-46
11-48
42-83
45-96
38-12
41-33
3406
30-46
33-71
27-36
30-49
24-68
27-57
22-45
37-30
20-62
22-81
20-94
47-04
46-65
42-31
38-22
37-98
34-64
34-38
31-43
31-20
28-59
28-23
2607
47-19
47-15
47-9
54-33
42-47
42-44
38-44
38-43
39-0
44-65
34-88
34-88
35-5
40-67
31-67
31-68
32-3
37-25
28-76
28-77
29-4
34-27
2616
2616
18-37
19-32
41-97
43-1
49-20
19-48
14-63
15-70
2501
25-86
7-79
23-88
23-36
24-4
29-23
26-7
31-63
1915
1-60
16-91
1-80
706
6-63
6-26
7-98
1607
15-36
1-90
4-78
4-78
4-78
5-31
5-31
5-31
9-50
17-91
1-70
6-90
14-73
21-99
21-87
21-87
22-3
18-78
18-78
191
16-63
16-62
16-8
1504
1504
15-2
2703
Tabulated Values
(
by interpolation. This has been necessitated by the

and reference to the original values is suggested.
indicates that these values have been obtained
having been made at other values of
(sin 0)/A
original calculations
Footnotes
*
t
{
Calculation of the scattering factor for the valence states of carbon is discussed by McWeeny [7].
Note that f(0)=the number of electrons.
These results are for a d n configuration (i.e. no 4s electrons) and so do not apply to the ground state. However, these values
will differ from those for the ground state only at low values of (sin 0)/A.
These results are not exact because of the use of 4s scattering factors obtained from a 4s 2 instead of a 4s 1 configuration.
207
Bibliography for Table 3.3.1 A

Reference to the Calculation
1.
2.
3.
4.
f=(l+47T a \- 2
2
sm
9)-*
J.
A.
M. H. The Diffraction of X-rays and Electrons

by Free Molecules. Cambridge Univ. Press, 1946, p. 12.
Shull, H. and Lowdin, P.-O. /. Chem. Phys., 25, 1035, 1956.
Duncanson, W.
E.
and Coulson, C. A. Proc. Roy. Soc. Edin.,
A62, 37, 1944.

Kibartas, V. V., Kavetskis, V.
Ibid., 10, 86, 1957.
teor. Fiz.,
5.
Wave Function
See, e.g., Pirenne,
Hurst, R. P., Miller, J. and Matsen, F. A.

Acta Cryst., 11, 320, 1958.
McWeeny, R. Ibid., 4, 513, 1951.
Ibers,
Reference to the
USSR,
Glembotskii,
Ibid.
I.
I.,
and
Iutsis,
A. P. Zh. eksp.
29, 623, 1955.
I.,
Kibartas, V. V., and Iutsis, A. P.
Ibid., 29,
617, 1955.
6.
Hoerni,
J.
A. and Ibers,
J.
A.
Ibid., 7, 744,
Jucys, A. Proc. Roy. Soc, A173, 59, 1939.
1954.
7.
Ibid.
8.
Ibid.
9.
10.
A.
Ibers,
J.
Idem.
Ibid., 11, 447, 1958.
Ibid., 11, 178, 1958.
Hartree, D. R. and Hartree, W. Ibid., A193, 299, 1948.

Hartree, D. R., Hartree, W., and Swirles, B. Phil. Trans. Roy.
Soc, A238, 229, 1939.
Biermann, L. and Trefftz, E. Z. Astrophys., 26, 213, 1949.
Cohen, S. Phys. Rev., 118, 489. 1960.
Hartree, D. R. and Hartree, W. Proc Roy. Soc, A149, 210, 1935.
Fock, V. and Petrashen, M. J. Phys. Z. Sowjet., 8, 547, 1935.
11.
Ibid.
12.
Berghuis, J., Haanappel, IJ. M., Potters,

M., Loopstra, B. O., MacGillavry, C. H.,
and Veenendaal, A. L. Acta Cryst., 8, 478,
13.
Ibid.
Hartree, D. R. and Hartree, W. Proc Roy. Soc, A150,
14.
Ibid.
Reference
Reference
1955.
9, 1935.
7.
15.
Ibid.
16.
Ibid.
17.
Ibid.
18.
Ibid.
19.
Ibid.
20.
Ibid.
21.
Ibid.
22.
Ibid.
23.
Ibid.
Mooney, R.
24.
Ibid.
25.
Ibid.

Hartree, W., Hartree, D. R., and Manning, M. F. Phys. Rev.,
59,299,1941.
26.
Ibid.
27.
Freeman, A.
28.
Ibid.
29.
Ibid.
30.
Ibid.
8.
Brown, F. W. Phys. Rev.,

Yost, W. J. Ibid., 58, 557,
44, 214, 1933.
1940.
Hartree, D. R. Proc. Roy. Soc, A151, 96, 1935.

Hartree, W., Hartree, D. R., and Manning, M. F. Phys. Rev.,
60, 857, 1941.

Ibid., A166, 450, 1938.
Ibid., A164, 167, 1938.
Idem.
Idem.
L. Phys. Rev., 55, 557, 1939.
33.
Ibid.
34.
Ibid.
Idem. Ibid., 59, 306, 1941.

Reference 12.
Reference 13.
Reference 6.
Reference 7.
Reference 8.
Allen, L. C. Quarterly Progress Report, Solid State and Molecular Theory Group, MIT, 15th July, 1957, p. 52.
Froese, C. Proc. Camb. Phil. Soc, 53, 206, 1957.
Hartree, D. R. and Freeman, A. J. Unpublished work, 1957.
35.
Ibid.
Krichagina, A. R. and Petrashen, M.
31.
Ibid.
32.
Ibid.
J.
Acta
Cryst., 12, 261, 1959.
USSR,
J.
Zh. eksp.
teor. Fiz.
8, 507, 1938.
36.
Ibid.
37.
Ibid.
Reference 19.
Reference 20.
38.
Ibid.
Hartree, D. R. and Hartree, W. Proc. Camb.
Phil.
Soc, 34,
550, 1938.
39.
Ibid.
40.
Ibid.
41.
Ibid.
42.
Ibid.
43.
Ibid.
44.
Ibid.
Reference 21.
Reference 22.
Hartree, D. R. /. Opt. Soc. Amer., 46, 350, 1956.

Idem. Proc. Camb. Phil. Soc, 51, 126, 1955.
Reference 25.
Douglas, A. S., Hartree, D. R., and Runciman,
Camb.
Phil.
208
Soc, 51, 486, 1955.
W. A. Proc
BIBLIOGRAPHY
Reference to the
Reference to the Calculation
46.
Piper, W. W. Unpublished work, 1958.

Tomiie, Y. and Stam, C. H. Acta Cryst., 11,
47.
Henry, W. G.
48.
Ibid.
49.
Eichhorn, E. L.
50.
Idem. Ibid., 11, 824, 1958.

Derenzini, T. Nuovo Cim., 13, 423, 1936.
Veenendaal, A. L., MacGillavry, C. H.,
Stam, B., Potters, M. L., and Romgens,
45.
Piper,
Wave Function
W. W.
Slater,
Phys. Rev., 123, 1281, 1961.

C. Phys. Rev., 36, 57, 1930.
J.
126, 1958.
51.
52.
53.
Reference 11.
Ibid., 7, 138, 1954.
Ibid., 10, 717, 1957.
M. J. H. Acta Cryst., 12, 242, 1959.

Freeman, A. J. and Wood, J. H. Acta
Cryst.,
Henry, W. G. Proc. Phys. Soc, A67, 789, 1954.

Ridley, E. C. Proc. Camb. Phil. Soc, 51, 702, 1955.
Manning, M. F. and Millman, J. Phys. Rev., 49, 848,
Reference
Manning, M.
Wood,
J.
1936.
11.
F.
and Goldberg,
H. and Pratt, G. W.,
L. Phys. Rev., 53, 662, 1938.
Ibid., 107, 995, 1957.
Jr.
12, 271, 1959.

54.
Boys,
Bernal, M.
Unpublished work, 1958.
S. F.
J.
M. and Boys,
S. F.
Roy. Soc, A245,
Phil. Trans.
139, 1953.
S. F. and Price, V. E. Ibid., 246, 451, 1954.
Hurst, R. P., Gray, J. D., Brigman, G. H., and Matsen, F. A.
Mol. Phys., 1, 189. 1958.
Worsley, B. H. Proc. Roy. Soc, A247, 390, 1958.
Boys,
55.
Ibid.
56.
Hurst, R.
57.
Worsley, B. H.
P.
and Matsen,
F. A. Acta Cryst.,
12, 7, 1959.
Canad.
J.
Phys., 37, 967,
1959.
58.
Ibid.
59.
Potters,
Idem. Canad.
M.
L. Unpublished work, 1959.
J.
Phys., 36, 289, 1958.
Ariyama, M., Kayama, K., and Sugimoto, M.
J.
Phys.
Soc
Japan, 12, 285, 1957.

60.
Gaspar, R. and Molnar-Ivanecsko, K. Acta Phys. Acad.
Ibid.
Hung.,
Sci.
6, 105, 1956.
Katterbach, K. Z. Astrophys.,
61.
Veenendaal, A. L., MacGillavry, C. H.,

Stam, B., Potters, M. L., and Romgens,
M. J. H. Acta Cryst., 12, 242, 1959.
62.
Ibid.
Reference 42.
63.
Ibid.
Altmann,
S. L.
32, 165, 1953.
Proc. Phys. Soc, A68, 987, 1955,
and unpublished
data, 1958.
64.
Ibid.
65.
Ibid.
66.
Worsley, B. H.
J.
Acta
Reference 44.
Ridley, E. C. Proc. Roy. Soc, A243, 422, 1957.
Hart, J. F. and Worsley, B. H. Canad. J. Phys., 37, 983, 1959,
and unpublished work, 1959.
Watson, R. E. Phys. Rev., 118, 1036, 1960.
and Watson, R. E.
Acta
Watson, R.
Canad.
J. Phys., 37, 967,
1959.
67.
Watson, R.
E.
and Freeman, A.
Cryst., 14, 27, 1961.

68.
Freeman, A.
J.
E. Ibid., 119, 1934, 1960.
Cryst., 14, 231, 1961.

69.
Dawson,
70.
Freeman, A.
B. Acta Cryst., 13, 403, 1960.

J. and Watson, R. E.
Reference 55.
Un-
Watson, R.
E.
and Freeman, A.
published work, 1961.

71.
Ibid.
Idem.
Ibid., 124, 1117, 1961.
209
J.
Phys. Rev., 123, 521, 1961.
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212
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,.
C3
3.3.
3.3.2. Dispersion
TABLE
Corrections for Atomic Scattering
Factors
Atomic
Dispersion Corrections for Atomic Scattering Factors

scattering factors as ordinarily tabulated
CxK*
Section 3.3.1.) take account of the spatial distribution of electrons in the atom, but they are calculated
(f
3.3.2A
radiation (A =2-291
A)
on the assumption that the electronic binding energy

so small compared with the energy of the X-ray
photon that the scattering power of each electron is
like that of a free electron. However, the scattering
power of a bound electron may be greater than or less
than that of a free electron, and the phase of the
scattered wave may be different. These effects may be
taken into account by representing the atomic scattering factor / as a complex number
A/"
A/'
is
Atom
f=f +Af'+iAf"
(sin0)/A=O
0-4
(sin 6)1 X==
0-3
0-4
0-0
0-0
0-0
00
00
00
0-0
0-1
0-1
0-1
0-0
00
0-1
0-1
0-1
0-1
0-2
0-1
0-1
01
01
01
0-2
0-2
0-2
0-1
0-3
0-3
0-3
11
Ne
Na
01
and imaginary
0-2
0-2
0-4
0-4
0-4
All of these terms are to be
12
Mg
0-2
0-2
0-5
0-5
0-5
multiplied by the correction factor for thermal motion
13
Al
0-2
0-2
0-6
0-6
0-6
of the atom. (See Section
14 Si
0-3
0-3
0-8
0-8
0-8
where A/' and A/" are called the

dispersion corrections.
real
10
3.3.5.)
The dispersion corrections depend on the X-ray

wavelength A and the diffraction angle d. They are less
sensitive functions of 6 than is fQ because the tightly
bound electrons responsible for these effects are concentrated in a small volume near the atomic nucleus.
In Tables 3.3.2A, B, C are listed values of the dispersion corrections calculated for three wavelengths and
various values of (sin 0)/A. The values for (sin 0)/A=O
are those published by Dauben and Templeton [2],
modified by inclusion of TV-shell electrons where their
effects are appreciable. The calculations have also been
extended to lighter elements. The corrections for
other values of (sin 0)/A are derived by multiplying the
contribution of each electron group by its individual
0-3
0-3
1-0
0-9
0-9
16 S
0-3
0-3
1-2
1-2
1-2
17 CI
0-3
0-3
1-5
1-5
1-4
A
K
0-2
0-2
1-8
1-7
1-7
00
00
2-2
2-1
2-1
-0-2
-0-7
-1-7
-0-2
-0-7
-1-7
2-7
2-7
2-6
3-2
3-1
3-1
3-8
3-7
3-7
-4-4)
0-6
0-6
0-5
-2-2
-2-2
0-7
0-7
0-6
-1-8
-1-6
-1-4
-1-2
-1-8
-1-6
-1-4
-1-2
0-8
0-8
0-7
0-9
0-9
0-8
1-0
1-0
0-9
1-2
1-2
1-1
-11
-11
1-3
1-3
1-2
-10
1-5
1-5
1-4
-0-9
-0-8
-0-7
-0-7
1-7
1-6
1-6
1-9
1-8
1-8
33 As
34 Se
-1-0
-0-9
-0-8
-0-7
-0-7
2-2
2-1
2-1
2-4
2-3
2-3
35 Br
36 Kr
37 Rb
38 Sr
39 Y
-0-6
-0-6
-0-6
-0-6
-0-6
-0-7
-0-7
-0-7
-0-7
-0-7
2-7
2-6
2-5
3-0
2-9
2-8
3-4
3-3
3-2
3-8
3-7
3-6
4-2
4-0
3-9
40 Zr
-0-7
-0-8
-0-9
-1-0
-1-2
-0-8
-0-8
-0-9
4-6
4-4
4-3
5-1
4-9
4-8
5-6
5-4
5-3
-11
6-2
6-0
5-9
-1-2
6-7
6.5
6-4
15
18
19
20 Ca
21 Sc
22 Ti
23 V
24 Cr
25 Mn
26 Fe
27 Co
28 Ni
29 Cu
Separate orbital transforms were available for several elements from the
calculations of Berghuis et al.[X\, and others are published by Veenendaal et al. [3]. These data were the
basis for graphical interpolation for other elements.
It may be noted that the magnitude of the real correction increases with increasing angle in many cases,
/-factor, or orbital transform.
electrons are
much more
Zn
31
Ga
Ge
32
because loosely bound electrons give positive contributions while tightly bound electrons give negative
contributions, and the transforms for the loosely
bound
30
(-4-4)
sensitive to angle.
These calculations are based on theoretical approximations for which it is difficult to assess the accuracy,
and they involve considerable arbitrariness with regard
to the oscillator strengths assigned to
the various
Experimental verification of these

corrections is fragmentary. Therefore caution should
be exercised in applications where high accuracy is
important. Values given in parentheses are especially
uncertain because of proximity to absorption edges.
electron groups.
41
Nb
42 Mo
43 Tc
44 Ru
213
3.3.
TABLE
3.3.2^
TABLE
(continued)
A/"
A/'
CuKa. radiation (A= 1-542 A)
Atom
(sin 0)/A==0
0-4
45 Rh
46 Pd
47 Ag
48 Cd
49 In
-1-3
-1-6
-1-9
-2-2
-2-7
-1-4
-1-7
-2-0
-2-3
-2-8
50 Sn
-3-2
-3-9
-4-9
(-7-1)
51
Sb
52
53
54
Te
55
56
57
58
59
Cs
Xe
(-12)
(-H)
9-7
9-5
0-0
-3-3
-4-0
-5-0
10-7
10-5
10-3
0-0
00
00
11*6
11-3
111
0-0
12-4
12-1
11-9
10
F
Ne
(-7-1)
13-6
13-3
131
11
Na
11
11
10
12
12
11
(-12)
(-11)
(-14)
Nd
Pm
62
63
64
Sm
Gd
-8
-7
-7
-6
-6
65 Tb
66 Dy
67 Ho
68 Er
69 Tm
-6
-5
-5
-5
-5
01
01
0-1
0-2
0-1
01
01
01
01
0-2
0-2
0-2
12
Mg
01
0-2
0-2
0-2
01
01
0-3
Al
0-3
0-3
0-3
0-2
0-2
0-4
0-4
0-4
0-2
0-2
0-5
0-5
0-5
16 S
0-3
0-3
0-6
0-6
0-6
15
0-3
0-3
0-7
0-7
0-7
0-3
0-3
0-9
0-9
0-8
19
0-3
0-3
11
11
10
20
Ca
0-3
0-3
1-4
1-4
1-3
21 Sc
0-3
0-3
1-6
1-6
1-5
-6
-6
-5
-5
-5
6
6
-11
-12
-11
-12
0-1
A
K
-8
-9
-10
92
01
17 CI
-8
-9
-10
Pa
0-0
4
4
4
-5
-5
-6
-6
-7
91
00
0-1
13
14 Si
00
0-1
4
4
-5
-5
-6
-6
-7
90 Th
0-0
Hg
0-6
-5
-5
-5
-5
-5
85 At
86 Rn
87 Fr
88 Ra
89 Ac
0-4
-8
-7
-7
-6
-6
-5
-5
-5
-5
-5
82 Pb
83 Bi
84 Po
(sin0)/A=O
75 Re
76 Os
77 Ir
78 Pt
79 Au
81 Tl
0-6
-5
-5
-5
-5
-5
80
(sin0)/A=O
-5
-5
-5
-5
-5
A/"
A/'
Atom
9-9
61
Lu
Hf
Ta
7-5
8-8
60
72
73
74
6-9
7-7
8-2
-10
-9
71
7-1
7-9
8-4
-9
Yb
7-3
90
Pr
Eu
0-4
8-6
(-14)
-10
0-3
(sin 0)/A==0
9-2
Ba
La
Ce
70
3.3.2B
-13
-13
(-15)
(-17)
(-15)
(-17)
10
10
11
10
10
11
11
10
12
12
11
13
12
12
14
13
13
15
14
14
15
15
14
16
16
15
17
17
16
18
18
17
19
19
18
20
20
19
21
21
23
24
25
27
22
23
24
26
20
22
28
29
28
27
28
27
22 Ti
23 V
24 Cr
25 Mn
26 Fe
18
27 Co
28 Ni
29 Cu
30 Zn
0-2
0-2
1-9
1-9
1-8
0-1
0-1
2-3
2-3
2-2
-0-1
-0-5
-0-1
-0-5
2-6
2-6
2-5
3-0
2-9
2-9
-11
-11
3-4
3-3
3-3
-2-2
-2-2
3-9
3-8
3-8
(-3-1)
-2-1
:-3-i)
0-6
0-6
0-5
-2-1
-1-7
-1-5
0-7
0-7
0-6
0-8
0-7
0-7
0-9
0-8
0-8
0-9
Ga
-1-7
-1-5
32 Ge
33 As
34 Se
35 Br
36 Kr
-1-3
-1-2
-1-0
-0-9
-0-9
-10
-10
37 Rb
38 Sr
39
Nb
-0-8
-0-7
-0-7
-0-6
-0-6
-0-9
-0-8
-0-8
-0-7
-0-7
42 Mo
43 Tc
44 Ru
45 Rh
46 Pd
-0-5
-0-5
-0-5
-0-5
-0-5
-0-6
-0-6
-0-6
-0-6
-0-6
31
40 Zr
41
-1-3
-1-2
-1-1
1-1
10
1-2
11
10
1-3
1-2
11
1-5
1-4
1-3
1-7
1-6
1-5
1-7
1-9
1-8
2-1
2-0
1-8
2-3
2-2
2-0
2-5
2-4
2-2
2-8
2-6
2-5
3-0
2-8
2-7
3-3
3-1
3-0
3-6
3-4
3-3
4-0
3-8
3-6
4-3
4-1
3-9
23
24
26
27
28
27
214
3.3.
TABLE
TABLE
3.3.2B {continued)
A/"
A/'
(sin 0)/A==0
51
Sb
52 Te
53
54 Xe
55 Cs
56 Ba
A/"
A/'
Atom
Atom
47 Ag
48 Cd
49 In
50 Sn
3.3.2B {continued)
0-6
(sin 0)/A==0
0-4
0-6
-0-5
-0-6
-0-6
-0-7
-0-8
-0-6
-0-7
-0-8
-0-9
-1-0
4-7
4-5
4-3
5-0
4-8
4-6
5-4
5-2
5-0
5-8
5-6
5-4
6-3
61
5-8
-0-9
-1-1
-1-4
-1-7
-2-1
-11
6-7
6-5
6-2
-1-3
-1-6
-1-9
-2-3
7-2
6-9
6-7
7-8
7-5
7-2
8-3
8-0
7-7
8-9
8-6
8-3
-2-7
-3-1
-3-6
-4-4
-5-3
9-6
9-2
8-9
10-3
9-9
9-6
11-0
10-6
10-2
11-7
11-3
10-9
12-4
120
11-5
-6-7
13-3
12-8
12-4
110
120
10-6
10-2
11-6
11-2
n--
(sin
92
93 Np
94 Pu
95
96 Cm
Am
0)/A=O
-4
-4
-5
-5
-6
(sin 0)/A==0
0-3
-5
-5
-5
-5
-6
16
16
15
17
16
IS
18
17
16
19
18
20
19
ft
18
TABLE
60
Nd
61
Pm
-2-5
-2-9
-3-4
-4-2
-5-1
62
Sm
-6-6
63
Eu
64
65
66
Gd
57
58
La
Ce
59 Pr
Tb
(-12)
(-11)
(-12)
(-11)
Dy
-10
-10
67 Ho
68 Er
69 Tm
70 Yb
(-13)
(-9)
(-13)
(-9)
4
4
Atom
0-6
0-9
1-3
00
0-0
0-0
00
0-0
0-0
0-0
0-1
01
01
#0
00
10
Ne
Na
12
Mg
00
00
00
0-0
00
13
Al
01
0-1
0-0
01
01
0-1
01
01
0-1
01
01
01
01
01
0-1
0-2
0-2
01
16 S
01
01
0-1
0-1
01
0-2
0-2
0-2
01
01
17 CI
0-1
0-1
0-1
0-2
0-2
0-2
0-2
18
0-1
0-1
0-1
0-3
0-3
0-2
*2
6
7
6
6
19
A
K
0-2
0-2
0-1
0-3
0-3
0-3
0-3
0-2
0-2
0-4
0-4
0-3
0-3
20 Ca
21 Sc
22 Ti
23 V
24 Cr
0-2
0-2
0-2
0-2
0-5
0-5
0-4
0-4
0-3
0-2
0-2
0-6
0-6
0-5
0-5
0-3
0-3
0-2
0-7
0-7
0-6
06
0-3
0-3
0-3
0-8
0-8
0-7
0-7
25 Mn
26 Fe
27 Co
28 Ni
29 Cu
0-4
0-3
0-3
0-9
0-9
0-8
0-4
0-3
0-3
1-0
0-9
0-9
0-8
0-4
0-3
0-3
1-1
1-0
1-0
0-9
0-4
0-3
0-3
1-2
11
1-1
1-0
0-3
0-3
0-3
1-4
1-3
1-3
1-2
1-4
-5
-5
-5
-5
-4
-6
-5
-5
-5
-5
82 Pb
83 Bi
84 Po
85 At
86 Rn
-4
-4
-4
-4
-4
-5
-5
-5
-5
-5
10
87 Fr
88 Ra
89 Ac
-4
-4
-4
-4
-4
-5
-5
-5
-5
-5
Pa
0-0
77 Ir
78 Pt
79 Au
80 Hg
81 Tl
Th
1-3
Re
Os
91
0-9
11
3
3
14 Si
15
90
00
-7
-6
-6
-6
-6
(sin d)/X=
(sin 0)/A=
-6
-6
-6
-5
-5
Hf
Ta
A/ "
72
73
74
75
76
MoTsTa radiation (A=0-7107 A)
4
4
4
-8
-8
-7
Lu
4
4
4
4
-8
-7
-7
71
3.3.2C
A/'
#4
0-4
0-1
f-1
0-1
0-1
9
9
10
9
10
11
10
10
11
11
10
12
11
11
12
12
11
30
Zn
0-3
0-3
0-2
1-6
1-5
1-5
13
12
12
31
0-2
0-2
0-2
1-7
1-6
1-6
14
13
12
32
Ga
Ge
0-2
0-2
0-2
1-9
1-8
It
As
01
0-1
01
2-2
2-1
2-0
!*
-01
-01
-01
2-4
2-3
2-2
3-1
15
14
13
33
16
15
14
34 Se
215
3.3.
TABLE
TABLE
3.3.2C (continued)
A/"
A/'
Atom
(sin 0)/A=
0-9
1-3
00
35 Br
36 Kr
37 Rb
38 Sr
39
-0-3
-0-6
-0-9
-1-4
-2-3
-0-3
-0-6
-0-9
-1-4
-2-3
-0-3
-0-6
-0-9
-1-5
-2-4
40 Zr
42 Mo
43 Tc
44 Ru
-2-8
-2-1
-1-7
-1-4
-1-2
-2-8
-2-1
-1-7
-1-5
-1-3
-2-9
-2-2
-1-8
-1-5
-1-3
45 Rh
46 Pd
47 Ag
48 Cd
49 In
-1-1
-1-0
-0-9
-0-8
-0-7
-1-2
-1-1
-1-0
-0-9
-0-8
-1-3
-1-2
-1-1
-10
1-6
-0-9
1-7
50 Sn
-0-8
-0-8
-0-7
-0-7
-0-6
-0-9
-0-9
-0-8
-0-8
-0-8
1-9
1-7
52 Te
53 I
54 Xe
-0-6
-0-6
-0-5
-0-5
-0-4
55 Cs
56 Ba
57 La
58 Ce
59 Pr
-0-4
-0-4
-0-3
-0-3
-0-3
-0-6
-0-6
-0-5
-0-5
-0-5
-0-8
-0-8
-0-7
-0-7
-0-7
60
Nd
61
Pm
62
63
Eu
64
Gd
-0-3
-0-3
-0-3
-0-3
-0-3
-0-5
-0-5
-0-5
-0-5
-0-6
-0-7
-0-7
-0-7
-0-7
-0-7
65 Tb
66 Dy
67 Ho
68 Er
69 Tm
-0-4
-0-4
-0-4
-0-4
-0-4
-0-6
-0-7
-0-7
-0-7
-0-8
-0-8
-0-8
-0-8
-0-8
-0-8
70
Yb
71
Lu
Hf
Ta
-0-5
-0-6
-0-7
-0-8
-1-0
-0-8
-0-9
-1-1
-1-3
-0-9
-1-0
-1-1
-1-2
-1-4
-1-2
-1-4
-1-7
-1-9
-2-2
-1-5
-1-7
-2-0
-2-2
-2-5
-1-6
-1-8
-2-1
-2-3
-2-6
41
51
72
73
74
Nb
Sb
Sm
75 Re
76 Os
77 Ir
78 Pt
79 Au
-10
A/"
A/'
Atom
(sin 0)/A=
00
3.3.2C (continued)
0-6
0-9
1-3
2-6
2-5
2-4
2-3
80
2-9
2-8
2-7
2-6
81 Tl
3-2
3-1
3-0
2-9
82 Pb
83 Bi
84 Po
3-6
3-5
3-4
3-2
3-9
3-8
3-7
3-5
0-8
0-7
0-6
0-5
0-9
0-8
0-6
0-5
0-9
0-8
0-7
0-6
1-0
0-9
0-8
0-6
(sin0)/A=
Hg
85 At
86 Rn
87 Fr
88 Ra
89 Ac
(sin 0)/A=
0-0
0-9
1-3
00
0-6
-2-6
-3-2
-3-8
-4-5
-5-3
-2-9
-3-5
-4-1
-4-8
-5-5
-3-0
-3-6
-4-2
-4-9
-5-6
10-6
11-2
(-8)
(-8)
(-8)
(-8)
(-8)
(-8)
-7
-6
-7
-7
-7
-7
1-1
1-0
0-8
0-7
1-2
1-1
0-9
0-8
1-3
1-2
1-0
0-8
90
Th
1-4
1-3
11
0-9
91
Pa
-6
-7
-7
-7
-7
-7
1-4
1-3
11
(-8)
(-8)
1-4
1-2
92
93 Np
94 Pu
(-8)
1-5
1-5
1-3
20
1-8
1-6
1-4
2-2
2-0
1-8
1-5
2-4
2-2
1-9
1-7
2-5
2-3
2-1
1-8
2-7
2-5
2-3
20
3-0
2-8
2-5
2-2
95
96
3.3.3. Scattering
3.3.3.1.
3-7
3-4
3-1
2-8
3-2
4-3
4-0
3-7
3-4
4-6
4-3
3-9
4-8
4-5
4-1
20
9-9
11-2
11-7
11-1
10-3
12-8
12-3
11-7
10-8
10
10
11
11
10
9
9
9
6
6
9
5
5
4
4
2-6
3.0
10-7
2-4
3-3
11-2
2-7
3-5
9-5
11-7
2-9
3-6
9-0
10-2
3-1
3-8
9-7
10-7
2-9
3-9
10-1
Cm
3-2
4-1
1-3
Am
3-4
0-9
4
4
Amplitudes for Electrons
Summary of Notation
the Bragg angle

the scattering angle
the wavelength of the electron
3-6
the
3-8
a variable equal to
wave vector of the
beam
diffracted
beam
ikr
2tt/A
5-1
4-7
4-3
4-0
a variable equal to 2k sin
5-4
5-0
4-7
4-3
5-7
5-3
5-0
4-6
the potential energy of the incident electron in

the atomic field
6-0
5-6
5-3
4-8
6-3
5-9
5-6
5-1
6-7
6-3
5-9
5-4
7-0
6-6
6-1
5-6
<f)
the electrostatic potential of the
the complex atomic scattering factor for electrons :f=\f\ e

\f\ is called the magnitude,
ir)
r)
7-3
6-9
6-4
5-9
7-6
7-2
6-7
6-2
8-0
7-6
7-1
6-5
8-3
8-0
7-5
6-9
8-8
8-4
7-9
7-3
9-2
8-8
8-3
7-7
9-6
9-1
8-7
8-1
101
9-6
9-2
8-5
atom (-ej>=V)
the phase
fB
the Born-approximation atomic scattering

amplitude for electrons
fx
the X-ray atomic scattering factor
the structure factor for electrons
the
moving mass of the
electron
Other symbols used either have their usual meanings

or else ar e defined where used.
216
3.3.
3.3.3.2.

B
evaluation of fB(0). Values of f (0) may be obtained
formula [5]
the
or
from
extrapolation
by
[11]
Summary of Formulae
General Formula for Scattering of Electrons
of electrons by a potential V{r)
/(*)=
~^
ikr
/W=^-*Z<r>
solution of Schro-
The angular dependence of the
dinger's equation for the elastic scattering of a

is
beam
....(5)
where <r 2 > is the mean-square radius of the atom.

Although (5) leads to more accurate values than does
[8] [91
extrapolation,
.... (1)
Vir)^r)dvr
wave
When
k "' r
incident plane monochromatic wave e~

distorted by the potential and is described within
The
is
its
functions,
it does the original

convenient and more restricted.
use, involving as
is less
the potential
is
readily available (as
for the statistical model)
its
evaluated from
fB (0)
is
the case
can, of course, be
(2).
range by the wave function 0(r). If we assume the

interaction of wave and potential to be small, we may
_/fc r
replace /<r) by the undistorted wave function e
This is the first Born approximation, an approximation
The Born-approximation amplitudes are much less

dependent on the atomic number than are the atomic
scattering factors for X-rays. At small values of the
which is valid if the electrons are travelling fast enough
Zi
'
and/or the potential
is
scattering angle
(This
is
fB
is
approximately proportional to
exact for the
Thomas-Fermi
statistical
B
model.) At large values of the scattering angle f is
(equation (3)).
approximately proportional to
Hence, the detection of light atoms in the presence of
heavy ones in crystal structures should be easier with
small enough.
Scattering by an
If
we assume
Atom
that the
atom
is
spherically
metrical, pass to spherical coordinates,
and
sym-
electrons than with X-rays [6].

2
Since fB(0) is proportional to <r >,
integrate,
we
obtain the Born-approximation atomic scattering

amplitude for electrons:
rn ,
s
f
Note that/ s
%TT*me C,,
)=
Wf)
is real.
sin sr
r dr
-fir
sr
The
potential of the
(2)
atom
follows that
amplitudes, their uses and limitations and dependence

on potential, may be found in the literature (e.g. [5]
[11] [13]).
<f>(r)
is
the difference between potentials created by the

nucleus and by the electron shell. If one takes into
consideration the distribution of positive and negative
charges in the atom and uses Poisson's equation, one
Scattering by a Crystal
The values in Table 3. 3. 3 are intended primarily

for use in the determination of crystal structures by
The structure amplitude for
electron diffraction.
obtains the familiar form for/ 5
electron scattering
f\s)=
it
the values of fB(0) will decrease within a row of the

periodic table. This is particularly striking in the first
and second rows.
Further discussion of Born-approximation scattering
by
crystals is expressed
by the
formula
8iT*me 2 (Z-fx
..(3)
h2
(P(M/)=2/ie2
'r
(Hr
''
'
....(6)
where
Z is the atomic number of the atom. Forfx in

and fB in A equation (3) may be written in
<P(hkl) values (cf. the F(hkl) values of X-ray structure analysis) are coefficients of the Fourier expansion
The
electrons
the
form
of the crystal
f\s)= 0-023934
Z-fx
(sin 0) 2 /A 2
lattice potential
&(hkl)=^ L(r)e2 ^ H^dv
(4)
the unit-cell volume and His the reciprocalvector hkl. Fourier transform theory leads to
the following expression for the potential
(For values of the physical constants used see [1]).

Values of fx are tabulated in Section 3.3.1. In
Table 3.3.3A which follows we give the corresponding
values offB obtained from (4)*. Table 3.3.3A is divided
into two parts the first part gives values offB derived
from self-consistent field calculations the second part
where
from the Thomas-Fermi-Dirac

A more complete
statistical model of the atom.
description of the various methods upon which the
values offx (and hence fB) are based is to be found in
The
O. is
lattice
xyz)=T^7; ^JP{hkl)e2 "
<f>(
i{-
hx+ky+lz)
.... (8)
2-nmeQ.
h,k,l
gives values derived
structure amplitude <P(hkl)
volts in accordance with the
may be
_4>(hkl)
0(hkl) (volts) =47-87-
the
the
These values are based on the
expressed in
formula
section 3.3.1.
At zero scattering angle fx =Z (for we assume

atom to be neutral), and so (4) is not suitable for
-...(7)
rest
(A)
(9)
Q(A3)
mass of the
electron.
217
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3.3.
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\0 (Bragg angle)
VCA-
z\
l/l
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4.4
4.9
Li
*3
ge
Complex Atomic Scattering Am

A, 77 in radians). Values marke
0-5
1-0
2-0
3-0
1-811
3-621
7-242
10-860
14-4
l/l
l/l
0-005
0-62
0-01
0-222
0-04
0-066
0-06
0-031
0-07
0-018
0-01
1-03
0-03
0-06
0-125
0-10
0-037
0-02
1-45
0-04
0-08
0-186
0-14
0-18
0-054
6-3
0-02
1-77
0-06
0-11
0-242
0-17
7-2
0-03
2-08
0-07
0-13
0-300
0-20
0-060
0-088
0-117
0-145
0-12
5-5
0-400
0-570
0-710
0-850
H
He
4-(
l/l
l/l
l/l
0-23
0-071
0-27
0-088
0102
*6
7-9
0-03
2-35
0-08
0-991
0-14
0-344
0-23
0-167
0-31
8-4
0-04
2-64
0-09
1-11
0-16
0-405
0-26
0-196
0-35
0-119
8-8
0-04
2-90
0-10
1-23
0-18
0-452
0-29
0-38
0-135
*9
91
0-05
3-12
0-11
1-36
0-19
0-500
0-32
0-220
0-243
0-41
0-150
Ne
10
9.4
0-05
3-36
0-12
1-46
0-20
0-542
0-34
0-267
0-45
0-165
Na 11
Mg*12
9-7
0-06
3-58
0-13
1-57
0-22
0-37
0-49
9.9
0-06
3-78
0-13
1-68
0-23
0-180
0-194
Al
13
10-2
0-07
3-99
0-14
1-77
0-25
Si
14
10-4
0-07
4-18
0-15
1-87
0-26
0-590
0-629
0-670
0-712
*15
10-6
0-08
4-36
0-15
1-97
0-27
0-750
0-46
0-292
0-314
0-337
0-359
0-382
0-39
0-41
0-44
0-52
0-58
0-209
0-223
0-61
0-236
0-55
S
CI
16
10-8
0-08
4-54
0-16
2-06
0-28
0-790
0-48
0-402
0-64
17
11-0
0-08
4-72
0-17
2-15
0-30
0-50
*18
11-2
0-09
4-87
0-17
2-23
0-31
0-424
0-445
0-67
19
11-4
0-09
5-05
0-18
2-32
0-32
0-830
0-860
0-905
0-73
Ca
20
11-6
0-10
5-21
0-19
2-40
0-33
0-938
0-56
0-465
0-484
0-76
0-250
0-262
0-275
0-288
0-299
0-52
0-54
0-70
21
11-8
0-10
5-37
0-19
2-48
0-34
0-972
0-58
0-505
0-79
0-312
*22
23
12-0
0-11
5-50
0-20
2-55
0-35
1-00
0-60
0-521
0-82
0-323
12-1
0-11
5-66
0-20
2-63
0-36
1-04
0-62
0-543
0-84
0-334
Cr
24,
12-3
0-11
5-80
0-21
2-72
0-37
1-07
0-64
0-561
0-87
0-346
Mn
25
12-4
0-12
5-94
0-22
2-78
0-38
1-10
0-66
0-579
0-89
0-356
Fe *26
12-6
0-12
6-07
0-22
2-84
0-39
1-13
0-68
0-593
0-91
Co
12-7
0-13
6-20
0-23
2-92
0-40
1-16
0-69
0-613
0-94
12-8
0-13
6-33
0-23
2-98
0-41
1-19
0-71
0-630
0-96
0-367
0-377
0-387
13-0
0-13
6-45
0-24
3-05
0-42
1-22
0-72
0-645
0-99
0-397
13-1
0-14
6-57
0-24
3-11
0-43
1-24
0-74
0-660
1-01
0-407
0-676
0-688
0-705
0-718
0-732
1-03
1-07
0-416
0-425
0-434
Sc
Ti
Cu
Zn
27
28
29
30
Ga
Ge
31
13-2
0-14
6-69
0-25
3-17
0-44
1-27
0-76
*32
13-3
0-14
6-81
0-25
3-22
0-45
1-29
0-77
33
34
35
13-4
0-15
6-92
0-26
3-29
0-46
1-32
0-79
13-5
0-15
7-03
0-26
3-35
0-47
1-34
0-80
13-6
0-16
7-14
0-27
3-41
0-48
1-37
0-82
13-7
0-16
7-24
0-27
3-46
0-48
1-39
0-83
13-8
0-16
7-34
0-28
3-52
0-49
1-41
0-84
Sr
36
37
*38
13-9
0-17
7-44
0-28
3-57
0-50
1-43
0-86
39
14-0
0-17
7-54
0-29
3-62
0-51
1-46
0-87
Zr
40
14-1
0-17
7-63
0-29
3-68
0-51
1-48
0-88
Ni
As
Se
Br
Kr
Rb
222
1-05
1-09
0-443
1-11
0-452
0-745
0-759
1-13
0-770
0-785
0-797
1-17
0-460
0-469
0-477
1-15
119
1-21
0-485
0-493
3.3.
3.3.3B
/= \f\e
ir
>
for 39-5
calculated
[7].
keV Electrons
Other values are interpolated.
14-0
12-0
5-0
6-0
8-0
10-0
18-085
21-690
28-879
36-032
50-199
43-142
l/l
l/l
l/l
l/l
00 12
0-09
0005
0-11
0-18
00. 54
0-23
0-25
0-0- 17
0-30
0-33
0-019
0-35
00 58
0-36
0-024
0-032
0-040
0-009
0-014
0-40
0-024
0-44
0015
0-48
0-002
0-004
0-006
0-008
0-011
0-12
0-17
0-003
0-006
0-009
0-012
0-12
016
0008
0016
0-10
oa >4
00 )8
0-41
0-018
0-56
0-59
0-021
0-090
0-53
0-66
0-57
0-64
0-63
0-70
0046
0-79
0-024
0-027
0-030
0-64
0-72
0-79
0-109
0-063
0-070
0-078
0-59
0100
0-028
0-033
0-037
0-041
0-51
0-48
0-048
0-055
0-46
o-ofco
0-119
0-68
0-085
0-75
0-72
0-80
0-138
0-147
0-77
01 57
0-85
0-092
0-100
0-106
0-113
0-90
0-95
0-050
0-054
0-059
0-063
0-067
0-86
0129
0-90
0-120
1-00
0-072
1-16
0-94
0-126
1-04
0-076
1-22
83
0-98
0-132
1-09
0-079
1-28
93
1-02
0139
1-13
106
0-145
1-18
0-084
0-088
1-33
01
09
110
0-151
1-22
0-091
1-44
18
1-14
1-27
1-18
0'2i
34
0-2 42
1-22
1-35
0-095
0-099
0-102
1-50
0-2 26
0-157
0-163
0-168
0-174
1-40
0106
1-65
0-2
50
57
0-2
64
0-272
1-29
0-179
1-44
0-109
1-70
0-2
1-33
1-48
0-113
1-75
1-52
1-84
1-44
1-60
0-116
0-119
0-123
1-80
0-279
0-185
0-190
0-196
0-201
1-89
0-072
0-074
0-076
0-078
0-081
0-285
1-47
0-206
1-64
0-125
1-94
0-192
1-50
0-211
1-68
0-128
1-98
0-298
1-53
0-216
1-72
2-03
0-304
1-57
0-221
1-75
0-310
1-60
0-225
1-79
0-132
0-135
0-138
0- 517
1-63
0-230
1-83
0141
2-16
0-
1-66
0-234
1-86
2-20
0- 328
1-69
0-239
1-89
0- 334
1-72
0-243
1-93
0339
1-75
0-247
1-96
0-144
0-146
0-149
0-152
1/
01 66
01 75
0-1
0-1
0-2
0-2
0-2
0-81
1-26
1-37
1-40
0-53
0-85
1-31
1-56
0-27
0-72
0-92
0-98
1-04
111
1-39
1-55
1-60
2-07
2-11
2-24
2-28
2-32
l/l
n
0-13
0-52
0-002
0-003
0-005
0-007
0-008
0-013
0-015
0-60
0010
0-69
0-011
0-64
0-74
0017
0-78
0-85
0-013
0-014
0-83
0-019
0-87
0-021
0-89
0016
1-00
0-033
0-035
0-038
0-041
0-044
0-95
0-023
1-02
0-025
0-027
1-10
0-018
0-019
0-021
1-08
1-02
1-25
1-32
0-022
0-024
1-32
1-23
0-029
0-031
0-047
0-049
1-30
0-033
1-40
0-025
1-48
1-37
0-035
1-47
0-027
1-55
0-052
0-055
0-057
1-43
0-037
1-54
0-028
1-63
1-50
0-039
0-041
1-61
0-030
0-031
1-70
0-060
0-062
0-065
0-067
0-069
1-62
1-75
2-01
0-032
0-034
0-035
0-036
0-038
1-85
1-86
0-042
0-044
0-046
0-048
0-049
0-20
0-30
0-39
1-10
1-16
1-56
1-68
1-74
1-80
0-22
0-33
0-43
1-17
1-68
1-81
1-88
1-95
0-24
0-35
0-46
0-55
0-91
1-16
1-24
1-40
1-77
1-92
1-99
2-06
2-13
1-91
0-051
2-07
0-053
2-14
0-039
0-040
2-20
1-97
2-03
2-20
2-26
2-32
0-042
0-043
0-044
2-34
2-14
0-054
0-056
0-057
0-083
2-18
0-059
2-38
0-045
2-54
0-085
0-087
0-089
0-091
2-24
0-060
0-062
0-063
0-065
2-44
0-046
0-048
2-61
2-61
0049
0050
2-74
2-80
0-093
0-095
0-097
2-44
0-066
0-067
2-67
0-051
2-86
2-72
2-92
2-78
0-099
0-101
2-59
0-069
0-070
2-83
2-63
0-071
2-88
0-052
0-053
0-054
0-055
223
209
2-30
2-34
2-39
2-49
2-54
2-50
2-56
2-27
2-41
2-48
2-68
2-98
3-04
3-10
3.3.
TABLE
(|/|
\d (Bragg
VCAZ \
l/l
1-0
2-0
3-0
4-0
1-811
3-621
7-242
10-860
14-4715
41
14-2
42
Tc 43
Ru *44
Rh 45
14-3
14-4
14-5
l/l
0-18
7-72
0-29
0-18
7-81
0-30
0-18
7-90
0-19
7-98
14-6
0-19
Pd
14-7
Ag
Cd
14-7
Nb
Mo
46
47
48
In
49
Sn *50
Sb
Te
0-5
angle,)
1
)
l/l
3-73
0-52
1-50
0-90
3-77
0-53
1-52
0-91
0-30
3-82
0-53
1-54
0-92
0-31
3-87
0-54
1-56
0-93
8-08
0-31
3-92
0-54
1-58
0-95
0-19
8-16
0-32
3-96
0-55
1-59
0-96
8-24
0-32
4-01
0-97
8-32
0-32
1-63
0-98
8-39
0-33
4-05
4-09
0-56
0-56
0-57
1-61
14-9
0-20
0-20
0-20
1-64
0-99
14-9
0-21
8-46
0-33
4-14
0-57
1-66
1-00
14-8
l/l
l/l
0-809
0-821
0-832
0-842
0-854
0-501
1-52
0-509
0-516
0-524
0-531
1-54
0-539
0-546
0-553
0-560
0-568
1-63
0-574
0-581
0-587
0-594
0-600
1-74
1-26
1-28
1-30
1-40
1-48
0-607
1-84
1-50
0-613
0-618
0-624
0-630
1-86
1-35
1-37
1-38
8-55
0-33
4-18
0-58
1-68
1-02
0-21
8-63
0-34
0-58
1-69
1-03
151
0-22
8-69
0-59
1-71
1-04
15-2
0-22
8-77
0-34
0-35
4-22
4-26
0-59
1-73
1-05
15-3
0-22
8-84
0-35
4-30
4-33
0-60
1-74
1-06
Ba *56
La 57
Ce 58
15-4
0-22
8-90
0-35
4-37
0-60
1-76
1-07
15-4
0-23
8-97
0-35
4-41
0-61
1-77
1-08
15-5
0-23
9-05
0-36
4-45
0-61
1-78
1-09
Pr
59
15-5
0-23
9-11
0-36
4-48
0-62
1-80
1-10
Nd
60
15-6
0-23
9-17
0-36
4-52
0-62
1-81
1-11
0-956
0-963
0-971
0-979
0-986
Pm
61
15-6
0-23
9-23
0-37
4-55
0-63
1-83
1-12
0-993
1-56
Sm*62
15-7
0-24
9-28
0-37
4-58
0-63
1-84
1-13
1-00
1-57
Eu
63
64
65
15-7
0-24
9-35
0-37
4-62
0-63
1-85
1-14
1-01
1-59
15-8
9-41
0-37
4-66
0-64
1-87
1-15
1-01
1-60
15-8
0-24
0-24
9-46
0-38
4-69
0-64
1-88
1-16
1-02
1-61
66
67
Er *68
69
Yb 70
15-9
0-24
9-52
0-38
1-89
1-17
1-03
1-63
0-25
9-58
0-38
0-65
1-90
1-18
1-04
1-64
16-0
0-25
9-63
0-38
4-72
4-75
4-78
0-64
15-9
0-65
1-91
1-19
1-04
1-65
16-0
0-25
9-68
0-39
4-81
0-66
1-92
1-20
1-05
1-66
16-1
0-25
9-74
0-39
4-84
0-66
1-93
1-21
1-05
1-68
71
16-1
0-25
9-79
0-39
4-88
0-67
1-94
1-21
1-06
1-69
16-2
0-26
9-84
0-39
4-91
0-67
1-95
1-22
1-07
1-70
16-2
0-26
9-89
0-39
4-93
0-68
1-96
1-23
1-07
1-71
72
73
*74
16-2
0-26
9-94
0-40
0-68
1-98
1-24
1-08
1-72
Re
75
16-3
0-26
9-99
0-40
4-96
4-99
0-68
1-99
1-24
1-09
1-73
Os
76
77
78
79
16-3
0-26
10-04
0-40
5-02
0-69
2-00
1-25
109
1-74
16-3
0-26
10-09
0-40
5-05
0-69
2-01
1-26
1-10
1-75
16-4
0-27
10-14
0-41
5-08
0-69
2-02
1-27
1-11
1-76
16-4
0-27
10-18
0-41
5-10
0-70
2-03
1-27
1-11
1-77
16-4
0-27
10-22
0-41
5-13
0-70
2-04
1-28
1-12
1-78
Dy
Ho
Tm
Lu
Hf
Ta
Ir
Pt
Au
Hg*80
224
1-61
0-912
0-921
0-930
0-939
0-947
1-33
0-21
Tb
1-59
1-31
15-0
Gd
1-57
0-865
0-875
0-885
0-894
0-904
15-0
Cs
1-24
51
Xe
l/l
1-23
52
53
54
55
3.3.3B
Complex Atomic Scattering Amplitudes

in A r] in radians). Values marked * are
1-42
1-44
1-45
1-47
1-52
1-53
1-54
0-636
0-641
0-646
0-651
0-656
0-662
0-666
0-671
0-676
0-680
0-684
0-688
0-692
0-696
0-700
0-704
0-708
0-711
0-714
0-717
1-66
1-68
1-70
1-72
1-76
1-78
1-80
1-82
1-88
1-90
1-92
1-94
1-95
1-97
1-99
2-01
2-02
2-04
2-05
2-07
2-09
2-10
2-12
2-13
2-14
2-16
2-18
2-19
2-20
2-22
2-23
3.3.
(continued)
f=\f\e*
calculated
[7].
Other values are interpolated.
5-0
6-0
8-0
10-0
12-0
14-0
18-085
21-690
28-879
36-032
43-142
50-199
l/l
l/l
l/l
l/l
l/l
l/l
0-34
1-78
0-252
1-99
0-155
2-36
0-103
2-68
0-073
2-93
0-056
3-16
0-35
1-81
2-02
0-158
2-40
2-05
2-44
3-03
0-36
1-86
2-48
3-07
0-060
3-31
0-36
1-89
2-11
0-160
0-163
0-165
0-058
0-059
3-21
1-83
0-074
0-076
0-077
0-078
2-98
0-104
0-106
0-108
0-110
2-72
0-35
0-256
0-260
0-264
0-268
3-12
0-061
3-37
1-91
0-168
2-55
0-079
3-17
0-171
2-59
2-94
0-081
3-22
0-38
1-97
2-20
0-173
2-62
2-98
1-99
2-23
2-66
0-39
2-01
0-176
0-178
0-082
0-083
0-085
3-26
0-38
0-280
0-284
0-287
0-062
0-062
0-063
0-064
0-065
3-42
2-17
0-112
0-113
0-115
0-117
0-118
2-90
1-94
0-272
0-276
2-14
0-291
2-29
2-34
0-066
0-067
0-068
3-26
3-58
0069
0070
3-81
2-40
2-80
2-83
2-86
0-086
0-087
0-088
0-089
0-091
3-67
0-298
0-302
0-305
0-120
0-122
0-123
0-125
0-127
3-40
2-32
0-180
0-183
0-185
0-188
0-190
2-73
0-295
0-37
0-37
0-40 1
0-40 6
2-04
2-06
2-09
0-41
2-11
0-41 X
2-13
0-39 6
2-08
2-26
2-37
2-51
2-69
2-76
2-77
2-81
2-85
3-02
3-06
310
3-14
3-18
3-22
3-31
3-35
3-44
3-49
3-53
3-26
3-47
3-53
3-58
3-62
3-72
3-77
3-86
0-41 8
2-15
0-308
2-43
0-192
2-90
0-128
3-29
0-092
3-61
0-071
3-90
0-42 3
0-42
2-18
2-46
0-093
3-66
0-071
3-95
3-36
2-22
2-24
2-53
0-072
0-073
0-074
4-04
0-43 6
0-094
0-095
0-097
3-70
0-43
0-130
0-131
0-133
0-135
3-33
2-20
0-194
0-197
0-199
0-201
2-93
0-312
0-315
0-319
0-322
0-43 9
0-44 3
2-26
0-325
2-56
0-203
3-06
2-58
3-09
0-44 8
2-30
2-32
2-35
3-53
0-335
0-338
2-63
0-205
0-207
0-209
0-212
0-098
0-099
0-100
3-82
0-328
0-331
3-57
0-101
3-94
3-18
0-136
0-138
0-140
0-141
0-143
3-47
2-28
3-60
0-103
3-98
0-45 9
2-37
0-341
2-68
0144
3-63
2-70
3-24
2-41
0-47
2-43
0-47 3
2-45
2-77
0-146
0-147
0-149
0-150
3-67
0-46 6
0-344
0-347
0-349
0-352
0-104
0-105
0-106
0-107
0-109
401
2-39
0-214
0-216
0-218
0-220
0-221
3-21
0-46 3
0-47 7
2-47
0-355
2-79
0-223
3-35
0-083
4-53
0-358
0-361
0-363
0-366
2-81
0-225
0-227
0-228
0-230
3-38
4-23
0-084
0-085
0-086
0-086
4-57
3-46
0-110
0-111
0-112
0-113
0-115
4-20
2-49
0-152
0-153
0-155
0-156
0-158
3-79
0-48
2-90
3-49
0-159
3-94
3-98
3-54
0-162
0-163
0-165
401
0119
0121
4-47
0-087
0-088
0-089
0-090
4-72
0161
0-116
0-117
0-118
4-37
3-51
2-98
0-232
0-234
0-235
0-237
0-238
4-50
0091
4-86
0-45 1
0-45 5
0-48 3
2-50
0-48 6
2-52
0-48 9
2-54
0-49 2
2-56
0-49 5
2-58
-4S 8
2-59
2-61
0-368
0-371
0-373
0-376
0-5C 3
2-63
0-378
0-5C
keV Electrons
for 39.5
2-48
2-51
2-60
2-65
2-72
2-74
2 83
2-85
2-88
2-92
2-94
2-96
2-96
3-00
3-03
3-12
3-15
3-26
3-29
3-32
3-41
3-43
3-56
3-58
225
3-40
3-44
3-50
3-70
3-73
3-76
3-82
3-85
3-88
3-91
404
4-07
3-74
3-78
3-86
3-90
4-05
4-09
4-13
4-16
4-27
4-30
4-34
4-40
4-44
0-075
0-075
0-076
0-077
0-078
0-079
0-080
0-081
0-081
0-082
3-99
4-08
4-12
4-16
4-20
4-25
4-29
4-33
4-37
4-41
4-45
4-49
4-60
4-64
4-68
4-76
4-79
4-82
3.3.
TABLE
(|/|
\0 (Bragg
VtA- )
1
0-5
1-0
1-811
3-621
angle)
l/l
l/l
3-0
40
10-860
14-47,5
2-0
7-242
l/l
l/l
l/l
l/l
0-720
0-723
0-726
0-729
0-732
2-24
Tl
81
16-5
0-27
10-27
0-41
5-16
0-70
2-05
1-29
1-12
1-79
Pb
82
83
84
85
16-5
0-27
10-32
0-41
5-18
0-71
1-29
1-13
1-80
16-5
0-27
10-36
0-41
5-21
0-71
2-06
2-07
1-30
1-14
1-81
16-6
0-28
10-40
5-23
0-71
2-08
1-31
1-14
1-82
16-6
0-28
10-44
0-42
0-42
5-26
0-71
2-09
1-31
1-15
1-83
Bi
Po
At
Rn*86
16-6
0-28
10-49
0-42
5-28
0-72
2-10
1-32
1-15
1-84
Fr
16-6
0-28
10-53
0-42
5-31
0-72
2-11
1-33
1-16
1-85
87
88
89
90
Ra
Ac
Th
16-7
0-28
10-57
0-42
5-34
0-72
2-12
1-33
1-16
1-86
16-7
0-28
10-60
0-42
5-37
0-72
2-13
1-34
1-17
1-87
16-7
0-29
10-64
0-43
5-39
0-73
2-14
1-35
1-17
1-88
91
16-7
0-29
10-68
0-43
5-42
0-73
2-15
1-36
1-18
1-88
0-748
*92
93
94
95
16-8
0-29
10-72
0-43
5-44
0-73
2-15
1-36
1-18
1-89
0-751
0-754
0-756
0-758
16-8
0-29
10-75
0-43
5-47
0-73
2-16
1-36
1-19
1-90
16-8
0-29
10-79
0-43
5-49
0-74
2-17
1-37
1-19
1-91
16-8
0-29
10-83
0-43
5-52
0-74
2-18
1-37
1-20
1-92
Cm
16-9
0-30
10-87
0-44
5-54
0-74
2-19
1-38
1-20
1-92
Bk
16-9
0-30
0-30
10-90
0-44
0-44
5-56
0-74
0-74
2-20
1-38
1-21
1-93
Pu
Am
96
97
Cf *98
16-9
10-95
5-58
2-21
1-39
2-27
2-28
2-29
2-31
2-32
2-33
2-34
2-36
2-37
2-38
2-40
2-41
2-42
2-43
0-760
0-762
0-763
1-94
1-21
2-26
0-735
0-738
0-741
0-743
0-746
Pa
Np
3.3.3B
Complex Atomic Scattering Amplitudes

in A, 1) in radians). Values marked * are
2-44
2-45
i
Failure of the Born Approximation
In equation (10) Pi is the Legendre polynomial of the first kind. When 3j<1, the partial
phases may be computed from the formula
nucleus.
We
noted above that the Born approximation is

valid when the velocity of the electrons is sufficiently
great or the potential sufficiently small. It has been
found [10] [3] that this latter condition is not always
satisfied in electron-diffraction studies of gas molecules containing both heavy and light atoms, and so
the Born approximation fails. Hence we include here
scattering factors which do not depend upon the Born
approximation. These are obtained as follows.
The general solution of the problem of the elastic
scattering of a beam of electrons by the central
potential
oc
ATT z
8=
where
J{+i
me
+i (kr)rdr
<f>(r)Jj
.(11)
the Bessel function of half-order.

is in fact the condition assumed in the
Born approximation it is possible to obtain (2) by the
substitution of (11) into (10). When the 8 Z are large
is
Since 3j<
WKB methodf can be applied to

and one obtains approximately [4]
the
is [8] [9]
their evaluation
00
477 %
f(d) = (2ik)-^(2l+ l)[e 2i8 i- l]A(cos 26)= \f\e*
me
U(r)[k*-(!+iyir*Y*dr
....(12)
/=o
(l+l)lk
....(10)
Using the Thomas-Fermi potential and the above
where the partial phases Sj may be interpreted as the

phase differences between the perturbed and unperturbed radial functions at large distances from the
f Note:
Method due
Brillouin, L. (Gen. Ed.).
226
to Wentzel, G., Kramers, H. A.
and
3.3.
continued)
= \f\e* for 39-5 keV Electrons

alculated [7]. Other values are interpolated.
5-0
6-0
8-0
10-0
12-0
14-0
18-085
21-690
28-879
36-032
43-142
50-199
l/l
l/l
l/l
l/l
l/l
l/l
0-506
2-64
3-00
3-61
0-091
4-56
0-169
0-170
0-171
4-16
0-122
0-123
0-124
0-125
0-127
4-53
2-66
0-166
0-167
4-10
0-50S
0-092
0-093
0-094
0-095
0-172
0-174
4-24
0-128
0-129
4-68
4-30
0-130
0-131
0-133
4-74
3-82
0-175
0-176
0-177
0-512
2-68
0-51^
2-69
0-380
0-383
0-385
0-387
0-5K
2-71
0-389
3-07
0-240
0-242
0-243
0-244
0-246
0-5U
2-73
0-391
3-09
0-247
3-73
0-521
2-75
0-393
311
3-75
0-524
2-76
3-13
0-526
2-78
2-79
0-395
0-397
0-399
0-248
0-249
0-251
0-252
0-525
3-02
3-04
3-05
3-14
3-16
3-68
3-71
3-78
3-80
4-33
4-36
4-65
4-97
5-00
5-04
5-07
4-77
0-096
0-097
0-097
0-098
4-80
0099
5-21
4-83
5-24
4-95
0-100
0-101
0-102
0-102
0-103
4-71
5-10
5-14
5-17
4-39
4-41
3-89
0-180
0-181
0-182
4-44
3-25
0-255
0-256
0-257
4-50
0-134
0-135
0-136
0-137
0-139
0-410
3-27
0-258
3-96
0-140
4-98
0-104
5-40
3-29
3-98
4-55
0-141
5-01
3-30
4-00
0-185
4-58
0-142
5-04
0-105
0-105
5-43
0-413
0-259
0-260
0-183
0-184
4-53
0-411
3-20
0-53f5
0-53"7
2-84
3-22
0-54()
'2-86
0-405
0-407
0-408
0-54:I
2-88
0-54
2-90
0-253
0-254
3-23
3-92
3-94
equations the complex atomic scattering amplitude/

(in terms of the magnitude and phase) has been
evaluated for 39-47 keV electrons (A= 0-06056 A) [4]
In Table 3.3.3B these results are reproduced
[7].
*). Values of |/| and r] for atoms not considered in the original calculations are also given in
3.3. 3B; these
were obtained by graphical interIt is important to

note that the values in Table 3.3.3B are for 39-47keK
electrons only. Discussion of possible ways to extend
on the
original results.
the calculations to other voltages is given in [7].

In order to use the data of Table 3.3.3B for the
interpretation of electron diffraction data from gas
molecules, one notes that for rigid molecules the
intensity of scattering I(s)
I(s)=K^\f
i,
r i5 are the
|/,|
is
3.3.4.
cos ( Vi - Vj)
K is
4-92
5-27
5-30
5-34
5-37
5-46
Neutron Scattering Amplitudes
Apart from this general nuclear scattering there is

additional scattering by magnetic atoms caused by
.(13)
Sîi
interatomic distances and
4-89
In general, the scattering of neutrons by matter

consists of scattering by the atomic nuclei, in marked
contrast to the behaviour of X-rays, which are scattered by the outer, extra-nuclear electrons of an atom.
of the form
^h
4-47
4-86
It must be emphasized finally that the data given in

Tables 3.3.3A, B are derived on the assumption that
monochromatic electrons are coherently scattered
from spherically symmetrical free neutral atoms at
rest.
Discussion and calculation of the effects of
incoherence, deviations from spherical symmetry,
state of ionization of atoms [2] [12], etc., are beyond
the scope of the present tabulation.
(marked
where the
4-27
4-62
0-179
3-18
0-403
polation
4-21
4-59
0-178
0-401
2-82
Table
4-19
4-90
4-94
3-84
2-81
2-85
3-66
4-13
3-86
0-53C)
0-53^
>
3-64
an interaction between the resultant magnetic spin

of these atoms and the magnetic moment of the
constant.
neutron.
227
3.3.
3.3.4.1.
Nuclear Scattering
of /+ J and /- \ respectively and possessing different

values b + b_ of the scattering length. As a result the
In the nuclear scattering two contributory factors

can be distinguished. First is the potential scattering,
for which the nucleus behaves as an impenetrable
sphere and the magnitude of which increases only
slowly with the atomic mass number A, in such a way
that the scattering amplitude is proportional to A*.
Superimposed on the potential scattering is the second
effect, known as resonance scattering, which varies in
seemingly random fashion from element to element.
It may be considered to depend on the energy levels in
the "compound nucleus" composed of the original
target nucleus and the incident neutron. The effective
amplitude of this resonance scattering may be of the
same or opposite sign as the potential scattering, thus
leading to either an increase or a decrease of the total
scattering amplitude. In exceptional cases the resultant amplitude may be negative. By convention, the
scattering amplitude is written as positive where there
is a phase change of 180 between the incident and
scattered neutron waves: this is the general case,
corresponding to the impenetrable sphere. The exceptional cases, where there is zero phase change, are
written as negative. Quantitatively we may say that if
a plane wave of neutrons described by wave-function
ip=eikz
a is the sum of two terms,

corresponding to coherent and incoherent
scattering respectively. Only the coherent term
can
produce co-operative interference effects with other
nuclei. Sf is considerably smaller than a for certain
nuclei with finite spin.
When we consider elements rather than individual
isotopes, a second source of incoherence arises. If the
different isotopes of an element have different values,
b lt b 2 b 3 etc., for b, the fact that in a crystal structure
total scattering cross-section
f and
/c=2tt/X
which is listed in the

value of the scattering length in
equation (2) above, averaged over all the various
possible isotopes and where necessary over their positive and negative spin combinations. It is this mean
value, sometimes specified as b r which determines the
intensities of the Bragg reflections of crystals for
neutrons. The quantity <Sf=4Tr(b r) 2 is then the coherent
therefore, the effective value of b
table will be the
On the other
hand, the total scattering cross-section for the element
will be a=47r(b r 2).
Nuclear dimensions are of the order of 10~ 12 cm,
which is very much smaller than the wavelengths of
about 10 -8 cm which are used for neutron diffraction.
As a result, the nucleus acts as a point-scatterer, so
scattering cross-section for the element.
....(1)
nucleus, the scattered
that the scattering
ip=-(b/r)e ikr
....(2)
scattering amplitude of the nucleus or,
more
may
then vary
which a value
is
given in Table
where known by
of the atom
is
given by the formula
p=(e y/mc 2)Sf=0-54x 10~ 12 Sf (cm)

where e= electronic charge
y= neutron magnetic moment in nuclear
magnetons
m = electron mass
signifi-
c= velocity of
3. 3. 4 A.
light
S= electronic spin quantum of scattering atom

/= atomic scattering factor of the unpaired electron (dependent on (sin 0)/A) in terms of
/=1
for 0=0.
The scattering observed experimentally depends also

on the orientation of the magnetic moment with
experiment, for different iso-
The integrated scattering in all directions, the

2
so-called scattering cross-section a, is given by 4-tt-Zj
2
24
10~
cm or barns.
and is measured in units of
complication arises for nuclei which possess a
topes.
respect to the scattering vector and on the direction of

polarization of the incident neutrons. The magnetic
scattering is of the same order as the nuclear scattering.
Table 3.3.4B compares the nuclear and magnetic

scattering for a few magnetic atoms and ions.
neutron may
form either one of two compound nuclei, having spins
spin.
to
The value of b may well be different for the different

isotopes of an element, since these isotopes may form
compound nuclei, in the sense discussed above, with
different energy levels. In the tables, therefore, b is
listed,
no angle-
the possession of unpaired electrons, give additional

neutron scattering. The magnetic scattering amplitude
cantly with wavelength. The only example which has

been investigated experimentally so far is cadmium,
for
is
Magnetic Scattering
Atoms which possess a magnetic moment, owing
is
amplitude
and there
3.3.4.2.
strictly,
has the dimensions of a

length and is measured in units of 10~ 12 cm.
More accurately, the scattering length is a complex
effective scattering
isotropic
scattering.
it
quantity b=a+ifi, and the phase change on scattering

not exactly 0 or 180 but may have an intermediate
value. The imaginary component only becomes important for nuclei with a high absorption, and the
is
dependent atomic form factor, although the temperature factor is angle-dependent as in the case of X-ray
where r is the distance of the point of measurement

from the origin at which the nucleus is considered to
be rigidly fixed. The quantity b is defined as the
the scattering length, for
mean
the
is
the individual isotopes are distributed at random

among the atomic sites will introduce a further incoherent term into the scattering. For an element,
wave number, is incident on a

wave will be spherically symmetrical and of the form
where
s,
If this is of value 7, the incident
228
TABLE
3.3.4A
Neutron Nuclear Scattering Data for Elements and Isotopes (References at end of Table)
Atomic
Element
Atomic
number
weight
of
natural
Specific
Nuclear
nucleus
spin
b
(10- 12 cm)
9>
(barns)
CT
(barns)
element
H
He
Li
H
H
He 4
2
3
i
9
6-94
Li 6
Li 7
Be
Be
O 16
F 19
10
Na
11
Mg
12
Al
13
Si
14
15
S
CI
1-1
-0-18
0-4
1-2
-0-25
14
6
0-8
1-4
0-774
7-53
7-54
0-661
5-50
0-60
4-5
5-5
11-0
11-4
0-940
0-577
0-55
5-51
4-2
4-24
3-8
4-0
2-9
Na 23
3
2
24-3
Al
27
5
2
28-06
psi
16
17
1-1
4-4
C 12
C 13
Ne
7-6
0-30
81-5
5-4
0-7
1-79
0-65
-0-378
32
35-5
0-351
1-55
3-4
0-54
3-60
3-70
0-35
1-5
1-5
0-42
2-16
2-2
0-53
3-5
3-6
0-31
1-2
0-99
12-2
1-2
15
18
0-20
0-5
0-9
19
39-1
0-35
1-5
2-2
Ca
20
40-1
0-49
3-0
3-2
0-49
3-0
3-1
0-18
0-4
1-18
17-5
A40
Ca40
Ca44
Sc
Ti
Sc45
21
22
-0-34
47-9
Ti 46
Ti 47
Ti 48
Ti 49
7
2
Ti 50
V
Cr
23
24
V 51
52-0
25
Fe
26
Mn 55
5
2
55-8
Fe 54
Fe 56
Fe 57
Co
Ni
27
28
0-48
[6]
0-33
[6]
1-37
[6]
4-23
0-08
[6]
0-08
0-55
[6]
-0-051
Co 59
58-7
Ni 58
Ni 60
Ni 62
229
24
4-4
2-90
-0-58
0-352
0-490
Cr 52
Mn
1-45
3-80
0-032
5-1
1-56
4-1
3-02
-0-36
1-6
2-0
11-8
0-96
11-4
0-42
2-2
2-5
1-01
12-8
12-8
0-23
0-64
0-28
1-0
1-03
13-4
1-44
25-9
0-30
1-1
-0-87
9-5
2
6
18-0
TABLE
3.3.4A {continued)
Neutron Nuclear Scattering Data for Elements and Isotopes
Atomic
Element
Atomic
number
weight
of
natural
Specific
Nuclear
nucleus
spin
(10- 12 cm)
(barns)
(barns)
8-5
element
Cu
29
63-6
Cu 63
Cu 65
Zn
30
65-4
Ga
Ge
31
69-7
32
33
34
35
72-6
As
Se
Br
Kr
44
45
46
47
Pd
Ag
Sn
Sb
Te
0-55
3-8
0-57
4-1
0-62
4-9
6-3
0-691
6-0
6-6
0-661
5-5
6-1
0-73 [4]
0-60
6-68
6-81
4-5
5-6
0-63
5-0
4-8
0-61
4-6
0-83
8-7
10
2-3
5-5
10
y89
Nb 93
95-9
101-7
Rh 103
106-7
107-9
112-4
0-43
6-5
114-8
0-38+Z.0-12
0-36 [4]
118-7
0-61
4-6
51
121-8
0-54
3-7
4-2
52
127-5
0-56
4-0
4-5
53
Xe
54
55
56
57
58
Ba
La
Ce
6-1
87-6
48
49
50
Gs
9-0
85-5
Ag 109
In
8-8
5-7
Agio:
Cd
0-84
0-67
41
Ru
4-2
79-9
Nb
Rh
4-3
5-0
91-2
43
15-3
10-0
40
42
1-11 [1]
0-59
0-89
Zr
Mo
5-7
0-63
Tc
7-8
[1]
7-5
As'
82-9
Sr
[1]
79-0
36
37
38
39
Rb
0-79
0-67
Pr
59
Nd
60
[7]
1-63
Te 120
Te 123
Te 124
Te 125
0-52
3-4
0-57
4-2
J127
4-9
0-55
3-9
0-56
4-0
0-52
3-4
3-8
0-49
30
0-52
3-4
7
6
130-2
Cs 133
137-4
La 139
0-83
8-7
9-3
0-46
2-7
2-7
Ce 140
Ce 142
0-47
2-8
2-6
0-45
2-6
2-6
Pr 141
0-44
2-4
4-0
0-72
6-5
0-77
7-5
0-28
10
1-0
0-87
9-5
9-5
140-25
144-3
Nd 142
Nd 144
Nd 146
230
16
7-5
TABLE
3.3.4A {continued)
Neutron Nuclear Scattering Data for Elements and Isotopes
Atomic
Element
JU^lW-A-LAWAJLi'
Atomic
number
weight
of
natural
Specific
Nuclear
nucleus
spin
b
(10- 12 cm)
(barns)
(barns)
element
11
61
Sm
62
150-4
Sm 152
Sm 154
Eu
63
64
65
66
67
68
69
70
152-0
71
175-0
178-6
Au
Hg
72
73
74
75
76
77
78
79
80
Tl
81
Gd
Tb
Dy
Ho
Er
Tm
Yb
Lu
Hf
Ta
Re
Os
Ir
Pt
Pb
Ra
Ac
Th
82
83
84
85
86
87
88
89
90
Pa
91
92
Np
93
Pu
94
Bi
Po
At
Rn
Fr
-0-5
0-8
157-3
Tb 159
Ho 165
7
2
162-5
9-1
-13
0-79
7-8
15
0-88
9-7
0-85
167-6
[2]
Tm 169
173-0
Ta 181
0-70
6-1
0-466
0-92 [5]
2-74
5-7
10-6
190-2
1-08 [3]
14-7
192-2
0-36
195-2
0-95
183-9
186-2
Au 197
[4]
11-2
7-3
0-76
1-3
200-6
204-4
207-2
0-89
[3]
0-96
Bi 209
0-864
[3]
[4]
9
26-5
10-0
10-1
11-5
11-4
9-35
-J|j232
1-01
12-8
TJ238
0-85
9-0
231
numbered
references as follows
Keating, D. T. et al. Phys. Rev., Ill, 261, 1958.

Koehler, W. C, Wilkinson, M. K., and Wollan, E. O. Unpublished.
Le Roy Heaton and Sidhu, S. S. Phys. Rev., 105, 216, 1957.

S, S., Le Roy Heaton, and Mueller, M. H. ANL paper No.
Sidhu,
196, 1958.
Wilkinson, M. K., Cable, J. W. et al. Unpublished.

[6] Wilkinson, M. K. and Shull, C. G. Unpublished.
[7] for a wavelength A= 1-075 A: Peterson, S. W. and Smith, H. G. Unpublished.
b is the coherent scattering amplitude, in units of 10 -12 cm.
SP is the coherent scattering cross-section in barns (i.e. 10~ 24 cm 2 ).
is
22
9-37
226
227
[5]
1-66
12
222
together with recent additions indicated by
[2]
14-9
210
Values are taken mainly from earlier compilations

Shull, C. G. and Wollan, E. O. Phys. Rev., 81, 527, 1951
Bacon, G. E. Neutron Diffraction. (Clarendon Press, Oxford, 1955);
Shull, C. G., unpublished, 1955;
[1]
1-63
the total scattering cross-section in barns.
231
12-6
3.3.
TABLE
3.3.4B
Comparison of Nuclear and Magnetic Scattering Amplitudes
The values of b and p (both

Fe and Ni.
in units of lO -12
Nuclear scattering
amplitude (b)
Element
cm) are given for the natural element, isotopes and ions of Mn,
Magnetic scattering amplitude
Effective
sin
quantum number
spin
e_
=0-25
A-
p)
Mn
Mn
Mn
-0-36
-0-36
-0-36
2+
3+
Fe
Fe 54
Fe 56
Fe 57
Fe 2+
Fe 3+
1-35
0-57
1-08
0-46
1-11 (metal)
0-60
0-35
0-96
1-08
0-45
0-96
5
2
1-35
0-57
1-03
0-3 (metal)
0-16
0-10
0-54
0-23
0-96
0-42
1-01
0-23
Ni
Ni 58
Ni 60
Ni 62
Ni 2 +
3.3.5.
1-44
0-30
-0-87
1-03
Temperature and other Modifying Factors
(e)
In Volume II, the modifications of atomic scattering

by thermal vibration and other effects are considered
in Sections 5.2.2
and
effect,
6.4.
Disorder of crystal structure
is
universal
(b)
(c)
and may
and the production of single ions, colour

These phenomena are well known to
affect the usefulness of a crystal monochromator,
often in an irreversible way (Section 2.3.3).
ture,
centres, etc.
thermal vibration (dynamic)

sites,
impurities, strains including those
due to dislocations and internal or external surface effects, disordered arrangements of different
atoms or differently ionized atoms on equivalent
symmetry sites, static or dynamic displacements
of similar atoms from equivalent sites (as, for
example, interstitial atoms) or displacement by
The
result of these perturbations
is,
in general, to
produce
(1)
an
overall reduction of the intensities of the Mi-
from the values calculated on

the basis of an ordered arrangement of atoms at
rest. (In special cases, however, individual spectra
diffraction spectra
diffusion, annealing processes, hindered rotation,

etc.
(d)
sometimes the onset of a chemical reaction,
to another crystal modification, changes of tex-
zero-point energy (static or dynamic)
vacant
partial transformation (reversible or irreversible)
be produced by
(a)
due to the X-rays themselves these include

heating effects (sufficient to bore a hole in a sheet
of ice [47]), phenomena such as the Compton
effects
may
presence of isotopes, different spin states, magnetic or electric condition (e.g. magnetic order or
disorder; passage of electric current, superconducIn general some of these produce
tivity, etc.).
first-order effects only for neutron diffraction;
but they are theoretically not negligible for X-ray
diffraction because, for example, different isotopes
will have slightly different sizes and thermal
be enhanced in intensity by a
rise
of tem-
perature [37] [50].)

(2)
a patterned increase in background (mainly incoThis scattering may include

hkl for which an ordered structure would imply
zero intensity (extinctions). This pattern may,
however, vary with temperature in such a way
as to produce local decreases in intensity with
rise of temperature.
herent) intensity.
vibrations [69];
232
3.3.
The consequence,
concerned,
is
as far as crystal-structure analysis
is that,
except for very simple arrange-
ments where other methods of assessment would in

any case apply, the discrepancy index R (see Vol. II,
6.4.4) is unlikely to be reduced below about 0-20 unless
the major departures from an essentially ordered and
static structure are taken into account. Moreover,
symmetry, interatomic distances [26] and molecular
shapes [6] [12] may be wrongly estimated.
On
the other hand, a deliberate study of these
phenomena may provide information of
interest not
only for an understanding of the real structure of
crystals, but also concerning interatomic and intermolecular forces, elastic constants of crystals [2] [38]
[59],
the vibrational spectrum
ment, that
independent of direction in the crystal.

and each atom are
the same quantity. The value of 2?to tai may be
measured by comparing observed atomic scattering
factors fT with the fR calculated for the atom at rest,
given in Table 3.3.2, modified if necessary as in Table
3.3.3; or by comparing observed structure factors FT
with the FR calculated for the structure in a state of
The Debye
rest,
is,
factors for each (hkl)
using fR
FR
cannot be measured directly; measurements at

different temperatures only give FT1 /FT2 and hence
B T1 -B T2 But if F can be obtained by extrapolation
from measurements of FT at different temto 0
.
peratures, then
relationships
[7] [17],
*o = -t^t;
2
6
between thermal vibrations and thermal expansions
sm
(see Section 2.6), specific heats, transition anomalies,
and Raman solid-state spectroscopy, melting,

and many other solid-liquid phenomena [20].
infra-red
Thermal Vibration and Zero-point Energy

These are universal, and occur together in the Debye
3.3.5.1
parameter B, in whatever form
it is
They
expressed.
are therefore measured together, but may be calculated (for very simple structures) separately.
3.3.5.1.1.
form of u
These experimental data are usually expressed in the

2
or of M (the value of found by equating
expressions (5) and (6)). When M is calculated from

the intensity of Bragg reflection, care should be taken
to allow for the diffuse scattering [22].
Values of can, however, be obtained from specific
(1)
A2
[ln(/r)-ln(A)]
...-(2)
[\n(FT)-\n(FR)]
....(3)
A2
sin
....(4)
Stt*uZ
....(5)
6h 2
U(/T)
+
km L IT
114927
heats, elastic constants, electrical resistance, etc. [2]

[8][32][46][53][62][66], and although the characteristic
temperatures thus defined are not precisely those which

apply in equations (6) and (7), [8] [25] [35] [76], they are
near enough to be used for an approximate calculation
of B T and B which correspond with the two separate
has been obtained in this
terms in (7). Table 3.3.5.1
way. It should be added that the validity of equations
(6) and (7) is doubtful at temperatures either very near
or too near to the melting point. However, the
to 0
values are given without modification, since a satisfactory theory covering the entire range of temperature
is not yet available.
reliable theoretical estimate of i?totai and a
measurement offT permit a measurement offR for any
cubic element, since
,
1"
....(6)
4.
<K0/T) +
2 873"
A2
,...(7)
(see Vol. II, Sections 5.2.2, 6.4 for other expressions)

h, k,
m,
A, d,f,
F have
their usual
meanings, u 2
is
the
mean square
ponent;
the
vibration displacement, uj- its x-comthe atomic weight in terms of 12 C=12,
Debye
characteristic temperature (K),
fT =fR Qxp -B
the
absolute temperature and 4>(jT) the function given

in Vol. II, Table 5.2.2B, [30]. The subscripts T and
R refer to a given absolute temperature and a state
of absolute rest respectively.
For such cubic structures the above expressions are
independent of the
set
is
elements) [39]
sin 2
FR
It will be seen that the B T (and therefore i? to tai) are

temperature-dependent, but B which is a measure of
zero-point energy (z.p.e.) is not.
Relatively few diffraction measurements of 2?to tai
have been made, even for the cubic elements (see
Table 3. 3. 5. IB). 2?total can also be estimated from
measurements of intensity of diffuse (background)
scattering. This has been done for Cu and for Pb
[10][20].
=B T +B
....(8)
and hence B can be estimated, provided that

known by calculation; B T is then given by (1).
For a cubic crystal consisting of one kind of

atom only {excluding the more complex cubic
^total
[HF )-\n(FR)]
sm"
A2
..(9)
but Borie [10] has shown that by measuring the

integrated intensities of the Bragg spectra and also the
temperature diffuse scattering intensity for a cubic
element at one temperature
of planes used in their measure-
it
is
possible to derive
233
3.3.
TABLE
3.3.5.1A
Values of Zero-point Energy Parameter B and Thermal Debye Parameters

20, 93, 293 K for some Elements with Cubic Structures
B T at
(The values given here are derived from limiting values of Debye characteristic temperatures found in
the literature, estimated over a range of temperatures and deduced from various crystal properties.)
[2][8][9][23][30][32][35][43][46][53][62][66]
Debye
Group
Element
Structure
Atomic
type
weight
characteristic
Z.p.e.
temp. 6 K.
parameter
Range
in
(A 2)
literature
Ne
f.c.c.
20-2
f.c.c.
39-9
Kr
Xe
IA
Li
Na
K
Rb
f.c.c.
83-8
f.c.c.
131-3
b.c.c.
b.c.c.
b.c.c.
b.c.c.
63
85
63
55
/277
(430
6-94
23-0
b.c.c.
132-9
Cu
Ag
Au
IIA
Ca
IIIA
f.c.c.
f.c.c.
f.c.c.
Sr
f.c.c.
Ba
b.c.c.
Al
f.c.c.
Th
IVB
f.c.c.
f.c.c.
diamond
63-5
107-9
197-0
40-1
87-6
232-0
12-0
Si
diamond
28-1
Ge
diamond
72-6
(grey)
diamond
118-7
f.c.c.
207-2
Pb
0-29
gas
gas
0-54
0-32
2-71
0-40
0-29
2-32
gas
gas
gas
gas
4-99
1'49 5
0-05
0-97
0-96
0-01 5
0-29
1-81
0-85 5
1-47
6-07 5
0-88 5
3-88
0-73 5
019
2-08 5
7-90
1163
0-45
0-04 5
0-66 5
58
85
0-58
0-39 5
3-18
2-82
11-15
0-39 5
0-14
1-38
5-07
0-51 5
0-58
4-07
13-50
0-40
0-30 5
2-38
8-29
/304
0-15
0-00 4
0-08 5
(342
0-13
0-00 3
0-06
0-44 5
0-34
/212
(220
0-12 5
0-00 7
0-12 5
0-58
0-12
0-00 6
0-50 5
0-09 5
o-io
0-00 6
o-io 5
0-15
0-09
0-40 5
0-30 5
1-44
(42
54
/155
(190
0-07 5
0-32 5
0-62 5
/220
1230
0-31
o-oi 8
0-01 6
0-26 5
l-30 5
1148
0-22
0-02 7
0-37 5
l-54 5
(171
019
0-01 7
0-27 5
l-35 5
115
0-18
0-03 6
0-43
1-68
(375
0-28 5
o-oo 5
0-11
0-64 5
1428
0-25
000 4
0-07 5
0-47
/145
(170
0-08 5
O-Olj
0-15
0-61
0-07 5
0-00 7
0-10
0-43 5
0-13 5
0-00
0-00
/1800
(2242
o-io 5
0-16
0-00 2
1211
0-15 5
0-19
0-OOi
0-01 x
(400
0-10
260
0-05 5
0-00 2
0-00 4
(505
\658
Sn
2.26
0-85
0-69 5
137-4
27-0
-293
1100
IB
1-33
^93
o-io 5
0-05 5
Cs
^20
/146
1180
39-1
85-4
Thermal
Debye parameters (A 2)
68
(105
234
0-20 5
0-13
0-10 5
0-04 5
0-00 2
0-02 3
0-OOi
0-03 5
0-01
0-24
0-02
0-19
0-03 5
0-16
0-87
0-20 5
0-07
0-33 5
0-93
3-22
0-35 5
1-35
3.3.
TABLE
3.3.5.1A (continued)
Values of Zero-point Energy Parameter B and Thermal Debye Parameters

20, 93, 293 K for some Elements with Cubic Structures
B T at
(The values given here are derived from limiting values of Debye characteristic temperatures found in
the literature, estimated over a range of temperatures and deduced from various crystal properties.)
[2][8][9][23][30][32][35][43][46][53][62][66]
Debye
Group
Element
Structure
Atomic
type
weight
Thermal Debye parameters (A 2)
characteristic
Z.p.e.
temp. 0 K.
parameter
Bo (A 2)
Range
in
literature
VA
f.c.c.
Nb
VB
f.c.c.
Ta
f.c.c.
f.c.c.
510
92-9
181-0
28-0
^20
-#93
293
o-io 5
0-04 5
0-57
(300
019
000 6
1413
0-13 5
0-00 2
1252
0-12 5
0-09 5
0-46
(301
0-10 5
o-oo 5
0-00 3
0-06
0-31
(230
0-07
0-06
0-29
(245
0-06 5
0-00 3
0-00 3
005
0-25
1-51
0-78
gas
gas
0-28
68
0-27
(mol.)
VIA
VIIA
VIII
Cr
b.c.c.
52-0
Mo
b.c.c.
960
b.c.c.
183-9
Mn
Fe
cubic
b.c.c.
54-9
55-9
(405
0-13 5
000 2
004 5
1485
0-OOj
0-02 5
0-18
(360
o-n 5
008 5
0-00 2
003 5
0-20
1388
007 5
OOOj
0-03
016 5
1270
0-06
0-00 2
0-04
0-20
(384
0-04
OOOi
001 5
009
/350
(410
0-15
0003
000 2
0-06 5
0-04
0-36 5
0-13
0-14 5
0-35 5
0-25 6
0-00 3
0-06
0-11
0-OOi
0-03
0-18 5
0-13
000 2
0-05
0-29 5
0-17
Ni
f.c.c.
58-7
/355
(467
(375
102-9
o-io 5
0-09
0-02 5
f.c.c.
(476
(315
0-OOi
Rh
0-00 2
0-04 5
0-25
(370
007 5
0-OOj
0-03
0-17 5
Pd
f.c.c.
106-4
(263
o-io 5
0-36 5
009 5
0-00 4
0-00 3
0-07 5
(280
0-06
0-32
Ir
f.c.c.
192-2
285
0-05
000 2
0-03
0-17
Pt
f.c.c.
195-1
/225
(248
0-06 5
0-00 3
0-06
0-28
0-06
0-00 3
0-04 5
0-22 5
Notes
The values of
are derived from specific heats at low temperatures, entropy, elastic constants (mainly at room temperatures),
melting points, etc. The Debye parameter given is 8tt 2 u^ and (B + Bt) may be compared with the Bx given in Table 3. 3. 5. IB
which are obtained from X-ray measurements. Definite trends may be seen if chemically similar elements are compared.
235
3.3.
bothfR and
-5 tot ai independently. This has been done

(compare
only for Cu, for which the value 0=299
Table 3.3.5.1 A) was thus obtained (but without the
(4)
Chipman-Paskin correction
It will be seen from Table
A that for most of
perature of liquid hydrogen is comparatively negligible.

This is not so, however, for the rare gases, the alkali
metals or for Pb.
Elements Crystallizing
in
factors for each
atom
[64] [73]
Non-cubic
Structures
Elements crystallizing in an ideally close-packed

hexagonal arrangement (c/a= 1-633) have almost isotropic B (i?totai) parameters [16], but in general B
varies with direction. A few measured examples are
given in Table 3.3.5.1B, together with values calculated
from average data, in Table 3.3.5.1C.
Binary Alloys and Simple Inorganic
3.3.5.1.3.
Debye
In the latter case the anisotropic factors may be

expressed in the form given in Vol. II, 6.4. 1 .2, where
the b{j include both thermal and z.p.e. vibration effects.
Alternatively, the intensities at different temperatures may be determined and extrapolated to 0
[33].
If these data were then used for a refined analysis, the
structure so determined would possess only z.p.e. No
data are available for such zero-point structures,
however, and therefore any table given here must be of
total Debye factors. Moreover, most of the systematic
errors that may be involved in the processing of
experimental intensity data collected at any temperature, such as
the harder elements the thermal vibration at the tem-
3.3.5.1.2.
anisotropic
[45].
[22]).
3.3.5.1
(a)
a wrong overall scale factor (Vol.
(b)
wrong scaling together of intensity measurements

made under different conditions
(c)
incorrect atomic scattering curves
(d)
failure to recognize, or properly to allow for, the

presence of extinction, or to correct adequately
for absorption or dispersion,
II, 6.4.1.2);
Compounds
elements have different amplitudes of
vibration even in a cubic structure, and these amplitudes may be anisotropic. The consequence of this is
that -6t otai will varY from one hkl to another, and even
for different orders of diffraction from the same set of
{hkl) planes the structure factor FT may be greater at
a high temperature than at a low one, and may change
sign [37][50]. Table 3.3.5.1D gives the B values for
individual atoms in a few simple compounds or
ordered alloys for which it may be assumed that the
Debye theory relating u x 2 and still holds. The
question of disorder in such compounds is considered
later. The exact values of individual B values depend
critically upon the processing and scaling of relative
intensities to give absolute F values, i.e. on adequate
correction for absorption, extinction and dispersion,
and on proper monochromatism of the primary
beam.
number of mean B based on and average
atomic weights are also given.
Different
will falsify the computation of thermal parameters,

whereas positional parameters are much less affected
by such errors. Any attempt, therefore, to compile a
table of typical Debye factors for small organic or
more complex inorganic structures must be accompanied by a warning that, in general, such data can
only be regarded as giving approximate information
about the actual state of vibration of the atoms or
molecules. Such approximate information may be
useful, however, in correcting the apparent relative
positions of atoms [26].
Since the b tj as such are not readily expressible in
terms of modes of vibration, it is usual to transform
them into the directions and magnitudes of principal
axes of the vibration ellipsoids of the atoms, or into
the translations and librations of the molecule treated
as a rigid body, accompanied by non-rigid body vibrations, if any. A few typical limiting values of principal
Debye parameters derived for molecular crystals of
various types are given in Table 3.3.5. IE.
Simple Organic Structures
3.3.5.1.4.
no way of calculating the Debye factors or

molecular structures however simple, but
on the other hand a considerable number of estimates
of temperature factors are available because it is not
possible to refine a structure without making allowance
for atomic vibrations. Modern methods of structure
analysis permit the determination, at any given temperature, of
There
is
z.p.e. for
(1)
an overall Debye factor for the whole

(Vol.
(2)
II, 7.2.1);
crystal
vibration effects, the atomic scattering in molecular
or for separate zones;
structures will not be spherical.
an anisotropic Debye factor for the molecule or

other unit of structure
molecule)
(3)
Bonding Anisotropy and Non-spherical

Electron Distributions
The presence of a 222 reflection in diamond and the
differences in neutron and X-ray intensity data for
graphite indicate clearly that, even apart from thermal
3.3.5.2.
(e.g.
may
for a large plane
theoretically
The Debye
factors
be determined from high-order
spectra only, in order to eliminate these effects [68]. In

practice, however, the high-order spectra are generally
weaker and subject to considerable random and

a different, but isotropic, Debye factor for each

atom;
236
TABLE
3.3.5.1B
x
Values of some Debye Parameters B (inclusive of z.p.e.) juid of Vibration Amplitudes
2
2
derived from X-ray Measurements. (u = 3ux )
(In
some
Element
Al
cases the literature only gives ^-values derived
Crystal
structure
f.c.c.
Debye
<VK
parameter (A 2 )
374
395
414
Au
Cu
f.c.c.
162
175
180
f.c.c.
Temp. (K)
Li
Pb
b.c.c.
f.c.c.
316
402
0-099
[73]
1-82
[54]
0-101
[54]
0-25 8
10
0-0230
0-0103
0-0033
0-152
0-83 4
600
293
0-057
[54]
0-0284
0-0071
0-0024
0-168
[54]
0-084
[54]
0-18,
900
293
94
0-048
[54]
2-53
1273
0-0320
0-0073
0-0237
0-179
[65]
0-085
[65]
0-154
0-084
0-053
[54]
2-24
0-56 2
293
900
293
100
1-87
0-55 2
0-22 4
[54]
[54]
0-209
[55]
0-157
[55]
/5-58
(500
[20]
\300
0-206
[20]
6-94
0-296
0-132
[20]
1-38
600
150
0-0706
0-0424
0-0878
0-0175
0-266
\3-35
room
0-05
0-07
[67]
293
86
0-0156; 0-0169
0-0061; 0-0064
0-125; 0-130
[15]
295
85
0-0234; 0-0083
0-153; 0-091
0-0080; 0-0028
0-089; 0-053
673
293
0-0545; 0-0236
0-0164; 0-0059
0-234; 0-154
1-30; 0-47
2-61; 1-11
0-80; 0-36
293
86
0-0330; 0-0140
0-0101; 0-0045
0-100; 0-067
Be
[20]
Ba
0-48:0-51
1-85; 0-66
0-63; 0-22
4-30; 1-87
0-0028
0-0436
0-0247
1-95
1-23; 1-34
c/a 1-886
00070
293
90
3-44
h.c.p.
[40]
00099
h.c.p.
Cd
[40]
0-064
room
Mg
0-099
0-78
0-40
c/a 1-856
Reference
86
h.c.p.
K )*(A)
0-0098
0-0041
Cmcm
Zn
(A 2)
290
c/a 1-624
0-32 6
70-3
69
78
intensity data for given temperatures.)
0-77 6
0-57 6
295
314
320
from X-ray
0-078; 0-080
[75]
[65]
0-128; 0-077
0-182; 0-118
[16]
diamond
*0-20
room and
low temp.
0-0025
0-05
[34]
Si
diamond
0-45
room and
0-0057
0-075
[34]
low temp.
Notes
1.
2.
The measurements on diamond and silicon were referred

Measurements on Zn made by Jauncey and Bruce [42]
to / (C), /(Si) as given in this Vol., Section 3.3.1.

give much higher B values, but these were based
on an incomplete
analysis of diffuse scattering data.

3.
[75][65] for Zn differ on an absolute scale, since Wollan and Harvey scaled their intensities
to correspond with the early absolute data which are probably incorrect, yet both sets of observers agree in finding B c /B a about
2-75 at room temperatures, this ratio decreasing at higher temperatures and increasing at lower temperatures. The axial ratio
between room temperature and 86 K.
for Zn and Cd does not change by more than about 1
Although the amplitudes quoted
237
3.3.
Values of Zero-point Energy
TABLE 3.3.5.1C
Parameter B and Thermal Debye Parameters B T at
for
20, 93, 293
some Elements with Non-cubic Structures
(The values given here are derived from limiting values of Debye characteristic temperatures
deduced from various crystal properties.)
[2][8][9][23][30][32][35][43][46][53][62][66]
Debye
Group
Element
Crystal
At. (mol.)
char. temp.
structure
weight
(range of
average K)
He
28-4
4-003
h.c.p.
Thermal Debye parameters (A 2 )
Z.p.e.
parameter
Bo (A")
25-3
B,
B,
gas
gas
gas
(w 2)*=0-56 e A=0-16a=0-10c)
IA
105
1-008
tetrag.
13-6
(13K)l-37
gas
gas
gas
gas
(2-016)
97
7-35
(13K)0-87
1000
1376
290
342
200
305
120
172
37
100
0-32
0-00x
0-01 8
0-16 5
0-23
0-00
0-00 7
0-06 5
0-41
0-01 3
0-24 5
l-28 5
0-34 5
0-22
0-00 8
0-15 5
0-88 5
0-01 4
0-24
l-08 5
0-14 5
0.08
0-47 5
0-42 5
0-21 5
0-00 4
0-04
0-15
0-01 6
0-20
0-87
0-38 5
0-53
0-03 5
3-52 5
0-40 5
liq.
0-14,
2-015
tetrag.
(4-03)
IIB
Be
Mg
h.c.p.
24-3
Zn
h.c.p.
65-4
Cd
h.c.p.
112-4
Hg
IIIA
HIB
rhomb,
La
h.c.p.(2c)
Gd
h.c.p.
orthorh.
B(B 12 )
tetrag
i
Ga
orthorh.
In
tetrag.
Tl
IVB
200-6
tetrag.
rhomb
IVA
90
h.c.p.
Ti
h.c.p.
h.c.p.
(132
0-15 5
0-02 5
0-30 6
1-24
0-13 5
0-01 5
0-22
0-92 5
157-3
\152
152
0-12
0-01 4
0-19 5
0-81 5
238-1
200
0-06
0-00 4
006 5
0-29 5
10-8
1250
138-9
69-7
h.c.p.
91-2
Hf
h.c.p.
178-5
tetrag.
118-7
(white)
0-33
0-05 5
1240
0-17
78
0-32
0-00 8
0-13
0-00 8
0-07 5
(0-00x)
(0-00 6 )
0-70
0-14
0-68 5
1-24
4-51
2-77 5
0-19 6
0-14 5
0-03
0-39 5
1-58
0-04
l-64 5
(100
0-14
0-03 5
0-44
0-40
(342
430
0-17 5
0-00 4
0-08
0-45
0-14
0-00 2
0-04
0-26
250
0-12 5
0-09 5
0-06 5
0-07 5
0-47 5
[129
47-9
7)
0-00
(0-00
[125
114-8
204-4
0-21 5
(0-01
(129-6)
Zr
Sn
l-87 5
96
1-51
213
0-07 5
0-00 5
0-00 3
0-00 4
163
0-15
0-01 5
0-22
0-93 5
258
0-09 5
0-00 4
0-07
0-34
(288
238
0-11
0-35
0-34 5
3.3.
TABLE
Values of Zero-point Energy Parameter B
for
3.3.5.1C {continued)
and Thermal Debye Parameters

some Elements with Non-cubic Structures
B T at
20, 93, 293
(The values given here are derived from limiting values of Debye characteristic temperatures
deduced from various crystal properties.)
[2][8][9][23][30][32][35][43][46][53][62][66]
Debye
Group
VB
Element
As
Crystal
At. (mol.)
char. temp.
structure
weight
(range of
average @ K)
rhomb.
74-9
Sb
rhomb.
121-8
Bi
rhomb.
209-0
o2
hex.
Se
hex.
Te
hex.
VIIA
Re
h.c.p.
VIIB
Cl 2
tetrag.
VIB
Z.p.e.
Thermal Debye parameters (A 2 )
parameter
BQ
(A*)
-#20
-S93
"293
(224
0-17
0-00 9
0-15 5
0-74
1285
0-13 5
000 4
0-08 5
0-43 5
/140
\200
/ 62
0-17
0-02
0-30 5
1-25
0-12
0-13
0-58 5
0-22
0-00 8
0-13 5
M2,
3-98
\120
0-11.
0-02
0-25 5
1-01
0-98 5
0-30
liq.
gas
135
0-27
0-04
0-52
2-08 5
127-6
120
0-19
0-03 5
0-42
1'65 5
186-2
/275
\310
0-05 5
0-00 2
0-03 5
019
0-05
0-OOi
0-02 5
0-14,
115
0-35 5
0-07
0-84 5
gas
16(32)
79-0
35-5
91
(71-0)
Br 2
I2
orthorh.
orthorh.
79-9
(159-8)
126-9
gas
(110)
106
0-10,
0-02,
0-29
1-10
58-9
385
0-12,
0-07
0-00 2
0-04 5
0-27 5
0-OOi
0-02 5
0-15
101-1
/400
1426
0-06 5
0-OOi
0-02
0-06
0-00 2
0-00 2
0-04 5
0-12,
0-23
0-04 5
0-21
(253-8)
VIII
Co
h.c.p.
Ru
h.c.p.
Os
h.c.p.
190-2
/250
\256
0-06
Comments
Values of & for the non-cubic elements vary even more widely than those for cubic elements. Generally speaking, the heavier
elements have the smaller zero-point-energy values when chemically similar elements are compared.
239
TABLE
B=B +B T for
some Atoms
in
3.3.5.1D
Binary and other Simple Inorganic Compounds
(B derived from Debye characteristic temperatures or
For-
Struc-
mula
ture
AB
LiH
type
Bl
Atomic
weights
6-94
1-01
Mean
Method
atomic
weight
of
3-975
derivation
Temp.
(K)
room
X-ray,
B x from
B X (A)
B
(A
X-ray measurement.)
direct
(A
"
(Li)
B x (B)
(A 2)
1-00
(H)
1-85
Reference
[18][19][24]
neutron
diffrac-
tion
D 815
LiD
Bl
6-94
LiF
6-94
2-01
19-0
4-475
13-0
D 611
low
low
room
X-ray
1-53
2-25
(Li)
1-10
(F)
1-50
6^685
S D 650
LiCl
LiBr
Lil
NaF
B
B
B
B
6-94
35-5
21-2
oo 463
6-94
79-9
43-4
6-94 126-9
67-0
oo 387
00 331
-685
-275
-463
-387
-331
23-0
21-0
X-ray
room
19-0
0-63 5
0-69 5
0-79
0-54 5
0-47 6
(Na) 0-76
(F)
0-95
6^439
NaCl
23-0
35-5
29-2
room
room
X-ray
290
20
500
290
86
NaBr
Bl
23-0
79-9
51-5
6^300
1-39
D 270
275
1-62
oo 243
243
1-13
200
243
1-66
198
1-16
23-0 126-9
75-0
oo 198
151
KF
39-1
19-0
29-0
6^333
321
KC1
39-1
35-5
37-3
X-ray
333
290
86
293
D 218
KBr
39-1
79-9
59-5
X-ray
D 152
KI
39-1
126-9
83-0
X-ray
, 158
eD
RbF
RbCl
B
B
ii5-
85-5
19-0
52-2
85-5
35-5
60-5
200
238
X-ray
85-5
79-9
82-7
oo 176
D 128
85-5 126-9
106-2
D 108
184
oo 166
Rbl
CsF
B
B
B
132-9
19-0
76-0
CsCl
B2
132-9
35-5
84-2
RbBr
room
room
-300
Nal
240
260
260
10-260
10-260
10-260
0-89
1-16.
2-47
(K)
1-93
1-64
3-081-03
1-16
1-81
2-49 5
2-73
l-32 5
l-44 5
[14]
[46]
[23]
[46]
[46]
[46]
1-00
[71]
1-26
[14]
[48]
[74]
1-25
1-12
[61]
0-60
0-32
[61]
2-61
2-11
[70]
1-54
1-25
[70]
0-61
0-32
[70]
1-58
1-45
[75]
1-82
1-60
(CI)
l-09 5
[74]
1-05
1-00
(Na)l-25
l-98 5
[69][48]
0-67
[69][48]
[14]
[5][23][46]
[52]
[46]
[48]
[5][46]
[48]
[46]
[48]
1-69
[48]
0-58
0-58
[48]
1-92
1-78
[71]
1-69
(K) 2-06
(K) 2-69
(Rb)l-78
(CI)
(Br) 1-92
2-37
(I)
(CI)
1-78
[23]
[71]
[23]
[71]
[5][46]
[23]
[48]
[71]
[46]
[23]
[23]
[48]
[46]
3.3.
TABLE
3.3.5.1D {continued)
B=B +B T for some Atoms in Binary and other Simple Inorganic

{B derived from Debye characteristic
For-
Struc-
mula
ture
AB
type
CsBr
Csl
B2
B2
Atomic
weights
temperatures or B x from
Mean
Method
atomic
weight
of
derivation
79-9
106-4
e.119
132-9 126-9
129-9
X-ray
132-9
Temp.
oo 93-6
NH
NH
4 C1
4
Br
B2
B2
18-0
35-5
26-8
18-0
79-9
49-0
AgCl
107-9
35-5
71-7
AgBr
107-9
79-9
93-9
270
111
130143
B3
Agl
107-9 126-9
135144
120-
117-4
183
T1C1
TIBr
GaAs
GaSb
LiAs
B2
B2
B3
B3
NaSb
P2Jc
P2Jc
Cs 3 Sb
B32
PbS
B
B
B
PbSe
PbTe
ZnS
MgO
1
1
B3
B
204-4 35-5
204-4 79-9
69-7 74-9
69-7 121-8
120-0
74-9
40-9
23-0 121-8
72-4
398-7 121-8
207-2 32-1
207-2 79-0
130-1
207-2 127-6
65-4 32-1
6-9
24-3
16-0
142-2
72-3
95-8
125
114
314
233
X-ray
119-6
X-ray
X-ray
D 230
143-1
D 168
167-4
D 139
48-8
300
20-2
750-
FeS 2
C2
55-8
64-1
40-0
uo
CI
238-0
32-0
90-0
CI
40-1
38-0
26-0
room
room
room
890
X-ray
474
645
CaF 2
(K)
160
200
200
200
direct
X-ray measurement.)
BX (A)
B
(A
Compounds
2-24 5
2-97
l-76 5
2-21 5
2-79 52-31 5
1-981-74
2-000-86 5
l-80 5
1-83
0-60 5
0-66
0-54
0-82
1-05
0-79
0-34 5-
(A
BX (B)
(A 2)
(Cs) 2-86
(I)
2-86
Reference
[46]
[71]
[46]
[43]
[43]
[43][46]
[2][41][66]
[2][46][66]
[43]
[43]
[43]
[43]
2-11
(As) 0-93
[27]
(Na) 2-20
(Sb) 1-34
(Sb) 1-67
[27]
(Li)
(Cs) 7-14
[37]
[56]
[56]
[56]
[2]
[2]
0-26
(Ca) 0-47
0-62
0-23
1'47 5
(F)
0-67
[74]
[2]
[2][66]
[2]
Comments
Considerable discrepancies exist for NaCl, LiF, etc., between the X-ray results of early and later workers. Both are given in this
The differences are probably due to better scaling of intensities and improved monochromatization of the primary beam
rather than to changes in the values of calculated /r data, since the latter, in general, are quite insufficient to account for the
differences. Almost all the early data were based on absolute measurements by James and Firth [41].
@oo are values of @d (from specific heat data) at temperatures comparable with @d. & are values deduced by other methods.
table.
U0
The data given for AgBr, AgT, ZnS, MgO, CaF 2 (derived from 0), FeS 2 ,
2 refer not to room temperature but to a low
2
temperature of 20K The room-temperature value of B for
and by X-ray
2 is found by neutron diffraction to be 0-40 A
diffraction to be 0-39 A 2
U0
241
3.3.
TABLE
3.3.5.1E
Some Observed Atomic Debye Parameters
for Molecular Crystals
(For details consult original papers. Principal atomic Debye parameters
Method
Crystal
Neutron
Debye parameters
diffraction
ti
(A 2)
2-39
2-39
2-39
(Dj, Da) 3-54
3-21
2-81
tj .
Average Debye parameters
References
M.P.
223
278
B(i))
and comments
[57]
slightly.
,D 2
differ
Mean
values
are given.
(D lf
Diketopiperazine
X-ray
diffraction
(CH 2 .NHCO) 2
1-52
1-52
1-47
)2-40
2
2-45
1-78
Cx
C2
2-36
1-60
1-25
3-25
1-52
1-22
3-44
1-67
1-08
4-86
1-92
1-30
Range of Btj
Chrysene
X-ray
(18^12)
diffraction
for all C atoms

3-97-8-39
B(C)
123
room
548
[31][49].
decomp.
room
527
Molecule
[18]
is
vibra-
ting almost as a rigid
body, therefore w 2
5-73
maximum for the
is
outer
atoms.
Anthracene
(C 14 H 10)
X-ray
(1)
Phillips'
data
Mason's data
Mason's data
Cruickshank's
refinement
X-ray
Acridine II
(C 13
NH
X-ray
Diparaxyly-
H16
room
490
2-91-6-77
B(C)
(2)B(C)
(3)B(C)
(4) B(C)
4-30
room
4-17
1-28
290
95
4-24
room
Average B(C, N) 4-24
room
(1
Range of BH for all C atoms

B(C)
380
diffraction
(C 6 H 5 CH 2
COO) 2 KH
558
C atoms
B
B
4-1
3-4
(range C)
2-0-8-7
1-4-5-2
7-2
(range
3-4-16-5
i5
270
[51].
278-4
[26].
{j
B(H)
93
5-6
293K 120
1-5
B(K) 3-8
2-0
B(0) 2-4
B(C)
Molecule has large
[51]
2-02-3-79
2-70
for all
4-5-7-4
B(C)
acetate
291
6-25
Range of B ti
diffraction
Neutron
Some disorder sus-
[58]
internal vibrations.
Range of B tj for all C atoms

B(C)
KH bisphenyl-
re-
^=10-9(4).
[29]
4-32-9-17
diffraction
X-ray
fully
fined to give 7?=3-6 (1),

4-9 (2), 6-5 (3).
pected.
(2)
Benzene
(C 6 H 6 )
Unpublished data from

two independent investigations,
K
K
diffraction
9)
lene (C 16
Range of Buffor all C atoms
diffraction
4-9
H)
1-7-10-9
242
293 Kl
120 Kj
B max corresponds
[4]
with the "free" ends of
the molecules;
and
one
are held between
pairs of molecules.
3.3.
TABLE
(For
3.3.5.1E {continued)
Some Observed Atomic Debye Parameters for Molecular Crystals

atomic Debye parameters Btj Average Debye parameters
details consult original papers. Principal
Method
Crystal
\_/4rig02'^l-2
Debye parameters B^ (A 2)
X-ray
2*(Ii)
diffraction
B(l 2)
B(S)
X-ray
diffraction
room
4-28
3-47
References
M.P.
and comments
[21] Iodine
relatively
atoms are
"free";
sul-
phurs are part of a

six-membered ring.
3-04
(1)
CeCu 6
B(i))
(2)
B(Cu) 1-20
B(Ce) 0-94
room
0-81
0-57
[28] (1) and (2) refer to

independent sets of
measurements on the
same crystal using different experimental
methods.
V4AI23
X-ray
B(V)
diffraction
(A1) 0-92
room
0-56
[60] Different ranges

(sin 9)/X
of
considered to
test for electron distri-
bution
differences
in
crystal relative to free
atoms.
Basic beryl-
X-ray
lium acetate
diffraction
Be 4
(CH 3 C0 2) 6
B(Be) 3-37
B(Oj) 2-40 B(O n)4-64
Bi} (range of O n )
2-43-7-28
(C T )
3-24
B ti (range
room
[68]
Structure
shows
several important fea-
including nonrigid-body vibrations.

tures,
5(C)4-45
of C)
2-65-7-27
5(H)
non-random errors
4-7
and probably a medium range

can be eliminated, low-order data
should then give information about bonding effects.
Calculated values of some scattering functions for
non-spherical charge distributions or bonded atoms
are available (see references in Table 3.3.1 A), but the
actual form of these distributions in compounds where
the atoms or molecules are "at rest" is not yet determined from experimental data (see, however, discussion in [13][34]). In particular the case of the
hexagonal close-packed elements with non-ideal axial
ratios has not been fully explained, though it is known
that the anisotropy of B c B a persists to low temperatures [15][16][75] (see Table 3.3.5.1B).
is best.
sensitive appears on stationary-crystal photographs

taken with monochromatic or white + characteristic
radiation [1] or, if the data are experimentally reliable,
when the structure will not satisfactorily refine. In the
case of mixed crystals or of a binary alloy the degree of
local disorder can be measured by a comparison of the
effective Debye factors with those of the separate constituents [44] [71] [72].
In the case of a molecular
compound the presence of impurities or disorder may
be suspected if the Debye factor is noticeably different
from one batch of crystals to another even though the
lattice constants are not.
Table 3.3.5.3 shows the
magnitude of disorder effects in a few special examples.
[26],
If extinction
3.3.5.3.
3.3.5.4.
Continuous and Discontinuous Variation
of Effective Debye Factor with Temperature and
Pressure, including First-order or Second-order
Transitions
Disorder
Disorder in a crystal should be suspected when the

Debye factors are unexpectedly or abnormally
high for the type of structure involved [36] [63] or when
a background pattern which is not temperature-
effective
Transition in the solid state is usually accompanied

first- or second-order change of lattice constants,
by a
243
3.3.
TABLE
3.3.5.3
Magnitude of Disorder Effects for some Selected Structures (room temperature)
Crystal
Debye parameter
Debye parameter
expected
found
0-29
> (0-52-1-62)
Tetragonal boron
Disorder
parameter
Reference
> 0-23-1-33
[36]
(probably vacancies)
Cu 3 Au
0-52
(quenched from 600 C)

Cu+ atomic 15% Au
0-53
KCl-KBr
K+
0-74
0-22
[113
0-86
0-33
[25]
1-99
2-69
0-70
[71][72]
(quenched solid solution)
C1-,
Br-
1-85
2-06
0-21
Cf. also [44]
KCl-RbCl
K+ Rb+
1-85
1-92
0-07
[71][72]
CF
1-78
2-37
0-59
(quenched solid solution)
but may be shown by an alteration of slope of the

thermal-expansion or Debye-factor curves.
Long-chain compounds and crystals containing diatomic molecules or molecules having approximate
spherical, cylindrical or plane circular shape may
change to a state of complete or hindered rotation with
or without disorder.
These abrupt variations are sometimes shown most
spectacularly by a complete change (in both intensity
and frequency distribution of intensity) of the back-
ground
diffuse pattern [3], especially
factor itself
Bragg
is
small.
reflections
This
is
when
the
less
more
sensitive to variation
than unity, the factor (l-exp(-2M)} is far

of the value of M, either
continuous or abrupt. This is shown by Table 3.3.5.4,
which illustrates the variation of both for the 111
reflection from diamond, for which the long-wavelength thermal diffuse scattering, though weak, shows
marked variation with temperature, whereas the
coherent scattering does not.
An
at
estimate of
diamond
at the temperature
to occur
(often
The
true value
written exp(-2M)), whereas the total diffuse scattering
perature
changes by (l-exp(-2M)). Where exp(-2M)
accurate.
is
B T for
which transformation of diamond to graphite begins
(~1500C in vacuo) gives 0-385 or i?totai =

0v514 (assuming 0=1855 K). This corresponds to
(ux 2) i = 0-08 A, of which about one-quarter is z.p.e.
Debye
because the intensity for
changes by exp |
much
not
TABLE
is
may
well be higher, since the tem-
too near to
for the calculation to be
3.3.5.4
Variation of Debye Factor e~ 2M and of (l-e _2M) with Temperature, for the 111 Reflection from Diamond
rK
B
e
or
-2M
B T (A 2)
(l-e- 2M)
0-129
0-993
0-007
where
% change from
to 1793 K
93
293
693
1793
0-002
0-993
0-007
0-021
0-100
0-988
0-012
0-385
0-974
+300
0-026
+270
M=
0-992
0-008
"sin 2 0"
(B
111
244
+B T)
-2
(in
total)
3.3.
References
3.3.1.
[1]
[2]
[3]
[4]
[5]
[6]
[7]
[6]
Boys, S. F. Proc. Roy. Soc, A206, 489, 1951, and

subsequent papers.
Gombas, P. Die Statistische Theorie des Atoms und
ihre Anwendungen (Springer, Vienna,. 1949).
Hartree, D. R. The Calculation of Atomic Structures
(Wiley, New York, 1957).
James, R. W. The Optical Principles of the Diffraction
of X-rays (Bell, London, 1958).
Lowdin, P.-O. Adv. Chem. Phys., 2, 207, 1959.
March, N. H. Advanc Phys., 6, 1, 1957.
McWeeny, R. Acta Cryst., 4, 513, 1951 5, 463, 1952;
[8]
[8]
Idem. Article in Flugge's Handbuch der Physik,
[9]
[2]
[3]
Veenendaal, A.
[16] Idem.
L.,
M.
Potters,
Brockhouse, B. N., Cochran, W., Woods, A. D. B.,

Arase, T., Caglioti, G., Sakamoto, M., and
Sinclair, R. N. Intern. Union Cryst. Cambridge
Congress Abstracts, p. 135, 1960; Acta Cryst.,
[18]
Burns, D. M., and Iball,
13,1109,1960.
MacGillavry, C. H., Stam, B.,

and Romgens, M. J. H., Ibid.,
L.,
[19]
Cohen, E.
J.
Crowe, K. M., and DuMond.
R.,
W. M. The Fundamental
(Interscience,
New
Constants of Physics
[20]
York, 1957).
Cowley, J. M. Acta Cryst., 6, 516, 522, 1953.

Glauber, R., and Schomaker, V. Phys. Rev.,
[21]
[22]
247, 1957).
and Massey, H.
F.,
S.
W. The
[24]
[25]
[26]
K. Zh.
eksp. teor. Fiz.
USSR,
Strukturnaya Electronografiya, chap.
3,
Vainshtein, B. K., and Ibers,
[29]
Cruickshank, D. W.
Ibid, 13, 913, 1960.
25,
A. Kristallografiya,
[31]
[32]
3.3.5.
S.
C, and Speakman, J.
[3]
American Institute of Physics Handbook, p. 4.

Amoros, J. L., Alonso, P., and Canut, M. Bol.
Bacon, G.
E.,
[34]
and Curry, N. A. Acta
J.
Solid State Physics, 2, 286 (Academic
New
R.
York, 1956).
and Lonsdale, K. Acta Cryst.,
E.,
9,
S.,
and Wolfel, E. Z. Elektrochem., 63,
[35]
Herbstein, F. H. Intern. Union Cryst. Cambridge

Congress Abstracts, p. 138, 1960 (also complete
MS seen before publication); Acta Cryst., 13,
[36]
Hoard,
Cryst., 13,
Barron, T. H. K., Berg, W. T., and Morrison,

Proc. Roy. Soc, A242, 478, 1957.
Gottlicher,
891, 1959.
1112. 1960.
717, 1960.
[5]
12,
697, 1956.
Real. Soc. Espan. Hist. Nat., 56, 67, 77, 1958.

[4]
de Launey,
[33] Gilbert,
C. J. Chem. Soc,
p. 2562, 1956.
[2]
1956; 10, 470,
Debye, P. P. Ann. Phys. Lpz., 43, 49, 1914.

Degeilh, R., and Marsh, R. E. Acta Cryst.,
Press,
Abrahams,
Ibid., 9, 915,
1007. 1959.
3, 416, 1958.
[1]
J.
1957.
2-3,
[30]
J.
Cochran, W. Rev. Mod. Phys., 30, 47, 1958.

Coyle, R. A., and Gale, B. Acta Cryst., 8, 105, 1955.
Cox, E. G., Cruickshank, D. W. J., and Smith,
[28]
[27]
Akad. Nauk USSR, 1956.

[13]
and Perlick, A. Z.
J.
157, 1953.
[12] Idem.
J.,
A. S. Nature, Lond., 175, 766, 1955; Proc. Roy.

Soc, A247, 1, 1958.
Cromer, D. T. Acta Cryst., 12, 36, 41, 1959.
Cromer, D. T., Larson, A. C, and Roof, R. B., Jr.
Theory of
Atomic Collisions, chap. 7. (Oxford U.P., 1949).

Schomaker, V., and Glauber, R. Nature, Lond., 170,
290, 1952.
[II] Vainshtein, B.
Goldmann,
Naturf, 4A, 424, 1949.
J. A., and Hoerni, J. A. Ibid, 7, 405, 1954.

Quantum
[8] Landau, L. D. and Lifshitz, E. M.
Mechanics, Non-Relativistic Theory, chap. 14.
(Addison-Wesley, Reading, Mass., 1958).
Mott, N.
Chipman, D. R., and Paskin, A. /. Appl. Phys.,

30, 1998, 1959. (Cf. Nillson, N. Ark. Fys., 12,
[23] Clusius, K.,
Idem. Ibid. 14, 540, 1961.
[7] Ibers,
[10]
Intern. Union
S., and Cochran, W.
Cambridge Congress Abstracts, p. 136,
1960; Acta Cryst., 13, 1110, 1960.
Cartz, L. Proc. Phys. Soc, B68, 957, 1955; Thesis
(London, 1954).
Chao, G. Y., and McCullough, J. D. Acta Cryst.,
Calder, R.
13, 727, 1960.
89,
667, 1953.
[4] Hoerni, J. A., and Ibers, J. A. Ibid, 91, 1182, 1953.
[5] Ibers, J. A. Acta Cryst., 11, 178, 1958.
[9]
Proc. Roy. Soc, A257,
Cryst.
3.3.3.
[6]
J.
491, 1960.
12, 242, 1959.
[3]
Ibid., 51, 73, 1939.
[17]
1955.
[2]
Ibid., 10, 89, 1957.
Breed, H., Bastiansen, O., and Almenntngen, A.

Cambridge Congress AbIntern. Union Cryst.
stracts, p. 134, 1960; Acta Cryst., 13, 1108, 1960.
[13] Brill, R. Acta Cryst., 13, 275, 1960.
[14] Brtndley, G. W. Phil. Mag., 9, 193, 1930.
[15] Brtndley, G. W., and Ridley, P. Proc. Phys. Soc,
50, 757, 1938.
Berghuis, J., Haanappel, IJ. M., Potters, M.,

Loopstra, B. O., MacGillavry, C. H., and
Veenendaal, A. L. Acta Cryst., 8, 478, 1955.
Dauben, C. H., and Templeton, D. H. Ibid., 8, 841,
[1]
7,
p. 325. (Springer, Berlin, 1955).
[12]
3.3.2.
[I]
I,
Blake, F. C. Rev. Mod. Phys., 5, 169, 1933.

Acta Cryst., 9, 617, 1956.
[11] Idem.
Chem. Phys., 22, 1758, 1954.
/.
Blackman, M. Acta
[10] Borie, B.
Thomas, L. H.
1960; Acta Cryst., 13, 1108, 1960.

Cryst., 9, 734, 1956.
[7]
Kristallphysik
7, 180, 1954.
6,631, 1953;
Bastiansen, O., and Tretteberg, M. Intern. Union

Cryst. Cambridge Congress Abstracts, p. 134,
J.
A.
/.
245
J. L., Hughes, R. E., and Sands, D. E.

Amer. Chem. Soc, 80, 4507, 1958.
REFERENCES
[37]
[38]
[39]
M. M. Proc. Roy. Soc,

A239, 46, 1957.
Jahn, H. A. Ibid., A179, 320, 1942.
James, R. W. The Optical Principles of the Diffraction
of X-rays (Bell, London, 1954).
Jack, K. H., and Wachtel,
[40] James, R. W., Brindley, G. W., and

Proc. Roy. Soc, A125, 401, 1929.
Wood, R.
[55]
[56]
[57]
70, 1957.
[58] Phillips,
E.
A117, 62,
Ibid.,
[60]
Jauncey, G. E. M., and Bruce,
W. A.
Phys. Rev.,
[61]
50, 408, 413, 1936.
[62]
and Mitra, S. S. Proc. Phys. Soc,

295, 1960. (Cf Wolcott, N. M., ibid., 77,
[43] Joshi, S. K.,
76,
[63]
Kantola, M., and Luova,

A, VI, Physica, 49,
[45]
1,
[64]
1960.
Cryst.,
[65]
Article in Flugge's Handbuch der

Kristallphysik I, p. 104 (Springer,
[48] Idem.
Acta
p.
26
(Bell,
[67]
Cryst., 1, 142, 1948.
[68]
Lonsdale, K., and Grenville-Wells, H.
[51]
Lonsdale, K., Milledge, H. J., and Rao, K. V. K.

Proc. Roy. Soc, A255, 82, 1960.
J.
[53]
Morrison, J. A., and Patterson, D. Trans. Far.

Soc, 52, 764, 1956.
Mott, N. F., and Jones, H. The Theory of the
Properties of Metals and Alloys (Dover Publications, New York, 1958).
[54]
Owen,
E. A., and Williams, R.
W.
J. S.,
Acta
Cryst., 10, 803, 1957.
and Davies, D. R. Acta
Cryst., 8,
Measurement of the Mean Square

Vibration Amplitudes in Metals by X-ray Tech-
Ryba, E. R.
be published
by Ryba, E. R., and Chiotti, P.).
Seitz, F. Modern Theory of Solids (McGraw-Hill,
New York, 1940).
Sturcken, E. F. Acta Cryst., 13, 852, 1960.
Tulinsky, A., Worthington, C. R., and Pignataro,
Ibid., 12, 623, 626, 634, 1959.
[70]
Ubbelohde, A. R. Trans. Far. Soc, 32, 525, 1936.

Waller, I., and James, R. W. Proc. Roy. Soc, A117,
[71]
Wasastjerna,
[69]
Nature,
Lond., 177, 986, 1956.
[52]
Rollett,
E.
[49] Idem. Ibid., 14, 37, 1961.

[50]
Union Cryst. Montrea{ Congress Abstracts,
niques, Thesis (Penn. State, 1960) (to
[66]
Lonsdale, K. Crystals and X-rays,

London, 1948).
Ibid.,
later
Berlin, 1955).
[47]
and Barnes, W. H.
125, 1955.
13,
532, 1960.
[46] Leibfried, G.
Physik, 7,
F. R.,
Ray, A. E., and Smith, J. F. Ibid., 13, 876, 1960.

Renntnger, M. Ibid., 5, 711, 1952.
Roberts, J. K. Heat and Thermodynamics (Blackie,
London, 1951).
Robertson, J. M., Rossmann, M. G., and Trotter, J.
p. 74, 1957.
P. Ann. Acad. Sci. Fenn.,
Kartha, G., and Ahmed, F. R. Acta
Ahmed,
Ramachandran, G. N., and Wooster, W. A.
Intern.
218, 1960).
[44]
C.,
4, 335, 431, 1951.
1927.
[42]
D.
Ibid., 13, 365, 1960.
[59]
R. W., and Firth, E. M.
[41] James,
Pankow, G. Helv. phys. Acta, 9, 88, 1936.

Parkinson, D. H., and Quarrington, J. E. Proc.
Phys. Soc, 67, 569, 1954.
Peterson, S. W., and Levy, H. A. Acta Cryst., 10,
214, 1927.
J.
A.
Soc. Sci. Fenn.
Comm.
Phys.-
Maths., 13, (5), 1, 1946.

[72] Idem. Ibid., 3, (8), 1, 1944.
[75]
Waser, J. Acta Cryst., 8, 731, 1955.

Witte, H., and Wolfel, E. Rev. Mod. Phys., 30,
51, 1958 (where previous references are given).
Wollan, E. O., and Harvey, G. G. Phys. Rev., 51,
[76]
Zener,
[73]
[74]
Proc. Roy. Soc,
1054, 1937.
A188, 509, 1947.
246
C, and Biuinsky,
S.
Ibid., 50, 107, 1936.
3.4.
Compton
Scattering of
3.4.1. Introduction
In order to determine experimentally the non-Bragg

due to thermal vibrations of the
atoms, order-disorder phenomena, the influence of
(diffuse) scattering
and deformations, etc., it is necessary to subfrom the values measured for the total diffuse
strains
tract
of the incoherent
Conversely, in a
possible to calculate with some
scattering the theoretical values

scattering
due to the Compton
effect.
few simple cases it is

accuracy the contribution from all the phenomena
except the Compton effect. Experimental measurements of intensity of incoherent scattering of X-rays
in a crystal can then be compared with theory [31] [45]
[8] [7].
Knowledge of the incoherently-scattered intensity
is
also useful for interpretation of the X-ray scattering
by amorphous
solids or liquids.
Several reviews of the subject of incoherent scattering, [6] (Chapter III) and [25] (Chapters III and IX),
give references to papers published before 1950.
For
very hard X-rays and y-rays see [14].

In this section we recall the general characteristics
of X-ray incoherent scattering and the principles upon
which the intensity calculations are based.

follow the results of the calculations.
each value of 20. But as early as 1923 both Ross and

Compton showed experimentally by photographic
spectroscopy that the modified line is always wider
than the unmodified line.
Taking into account the binding energy of the
electron in the atom, Wentzel [50] showed the scattered radiations to be spread out in a band centred
around A', which is wider, the more strongly the elec-
Jauncey [27], making use of Bohr's

is bound.
atomic theory, assumed that, if the momentum of the
tron
electron just before collision has the right orientation

with regard to the momenta of the incident and scattered photons, the electron may gain sufficient energy
in the collision to be ejected from the atom: this is the
origin of the Compton scattering. The unmodified
scattering corresponds to the case where the orientations and values of the momenta do not enable the
electron to receive enough energy to break its bond
to the nucleus. Jauncey could thus calculate a width
for the scattering
DuMond
Then
which
Compton
momenta
good
qualitative
He
gave a very simple
links the intensity distribution in the
line
to
the
distribution
of the electric
atom considered from the relativistic

point of view of quantum mechanics. This relationship
allows the distribution of the momenta of atoms in the
scatterer to be deduced from the experimental Comp-
by the Compton effect [4]

is due to the collision, that is the exchange of energy and momentum,
between an incident photon of wavelength A and an
electron. The electron is expelled from the atom and
the photon has, after the collision, a slightly smaller
scattering of X-rays
(incoherent or modified scattering)
ton
in the
line profile.
also showed why the line width increases

with the scattering angle and the wavelength of the
incident photons. Having determined experimentally
the line profile for the scattering by graphite, he
deduced the distribution of the momenta in the carbon
atom and showed it to be in good agreement with the
theoretical distribution derived with the aid of a
DuMond
is a wavelength A' slightly larger. In the

unmodified scattering, on the contrary, the momentum
exchange takes place between the incident photon and
the atom as a whole; the wavelength change is then
zero for selective reflection by a crystal (strictly
coherent scattering); it is very small for scattering
outside the Bragg reflections due to the thermal vibrations of the atoms [32]. The solution of the collision
equation (cf. [6], page 206) gives, depending on the
scattering angle 20, the kinetic energy taken up by the
electron and the wavelength change of the photon AA:
energy, that
mc
in
[12],
relative to the incident wave.
General Characteristics of the Incoherent
AA=A'-A= (1 -cos 25)
is
generalizing Jauncey's views, has

shown that the line broadening may be considered as
a Doppler effect due to the motion of the scatterers
Scattering
The
band which
agreement with experiment.
relation
3.4.2.
X-Rays
formula due to Podolsky and Pauling. Just as the

study of coherent scattering allows the distribution of
the electronic density in the atom to be determined, so
that of incoherent scattering enables us to determine
the distribution of the momenta. Several authors have
attempted, with or after DuMond, to compare the
experimental and theoretical momenta distribution for
several kinds of atom. They find that while the agreement is excellent for a gas (e.g. He [13]) it is very poor
in the case of scattering by a solid. In the latter case
the experimental distribution of momenta is wider
(1)
with h/mc= 0-02426 A. The AA change is therefore

independent of the wavelength A of the incident
photon and of the atomic nature of the scatterer.
To obtain this result the electron is assumed free,
with velocity zero at the time of the collision. This
leads to a single value of the modified wavelength for
than that calculated theoretically for the free atom.

This increase in width may be interpreted in the case
of solid scatterers using Pauli's exclusion principle; the
distribution of momenta, particularly for the outer
electrons, is modified because the volume available to
247
COMPTON SCATTERING OF X-RAYS
3.4.
atom is limited; a contraction in the volume space

must be accompanied by an expansion in the momentum space [34]. The experimental study of the Compton line profile, which is very sensitive to variations in
the
the distribution of the electronic momenta of the atom

in the crystal, is therefore a useful source of data for
is
the atomic structure factor for coherent scattering
and where
/*nc
= /e[z-2/2
....(6)
]
represents the incoherent scattering.
solid-state physics.
If the energy imparted to the electron is small

enough, the existence of well-defined energy levels in
the free atom would imply the existence of a sharp
limit on the short-wavelength side of the Compton
band and the appearance of Smekal-Raman-type lines
[42]. In the case of atoms bound in a solid, these lines
become bands. Alexopoulos and Brogren [1] have tried
to find experimentally the sharp limit of the Compton
band. Das Gupta [9] has shown the existence of the
Smekal-Raman lines.
AA for the maximum of
the
found
less
be a few per cent
Compton band
is
than is given by (1),

the reduction being proportional to A 2 This effect is
due to electrostatic interaction between the expelled
electron and the nucleus from which it has come.
[40] to
3.4.3.
Theoretical Evaluation of the Intensity of
Compton
3.4.3.1.
3.4.3.2.
Quantum Mechanics Calculations
Wentzel
which / is
[50] obtains
now
a formula similar to
(4)
but in
by
defined
/= J0* exp
(iK'r)4> n dv
.... (7)
4> n being the wave function of the nth electron in the

atom, and the product 0*^ taking the place of the
classical probability function p(r). These calculations assume that the total wave function of the atom
is simply the product of the wave functions of each
electron. Keeping to this assumption, the atomic wave
function may however be written as a determinant [41]
of which the elements are electronic wave functions, in
order to take into account the impossibility of distinguishing one electron from another, and the Pauli
principle. We then get Waller's expression for the
total intensity scattered
by a free atom
[46] [47] [49]
Scattering
/=/e [i2/i 2 +z-2i/ni 2 -22!/-i 2 ]
Classical Calculations
Raman [39] and Compton [5] consider the scattering

of an incident wave by a group of Z independent electrons around the nucleus, which form an electronic
cloud with spherical symmetry; the probability for any
/wn = tym *
with
The incoherent
/=/e [Z2/ 2 +Z(l-/ 2)]
....(2)
^
Ii
Je being the free electron (Thomson) scattering and/the

atomic scattering factor:
[u{rf^-dr
(3)
.(10)
m&n
exclusion
the non-diagonal terms fmn is due to

which forbids electronic
principle
transitions to occupied states.
Equation (10) should in fact be
slightly corrected,
intensity should
be written
ine
where dv is an element of volume and Kis the scattering

vector, of magnitude
-(8)
by
and the expression for the incoherent
P (r) exp {iK-r)dv=
.... (9)
= Z-^=Z-2l/nn| 2 -23/*
The presence of
the
(iK-r)if> n dv
(modified) intensity, in electronic
units, is therefore given
one of these electrons to be between r and r+dr from

the nucleus being dP=47rr2p(r) dr=U(r) dr, the total
intensity scattered by an atom at the angle 20 will be
exp
where
inc
=Iine /Ie
The Breit-Dirac
i:=(4,r/A)sin0
=R(Z-&)
....(11)
recoil factor R=(v'/v) 3 ,
where
and
are the frequencies of the incident and incoherentlyscattered X-rays respectively, was established by
Breit [3] in a classical way by taking into account the
v'
Formula
(2)
coherent part
shows that
I/Ie is separated into
Z2/ 2 and an incoherent part Z(l-/2
).
Jauncey [28] and Woo [51], although still using an

atomic model having spherical symmetry, generalize
the calculation of Raman-Compton by attributing to
each electron in the atom its own probability distribution. The total intensity scattered by the atom is then
^/e[||/B 2 + Z-||/n 2
|
....(4)
where
-p*-%jvM*^*
Kr
(5)
of the electron after the collision. It

has the same value in quantum theory [11]. If we take
the relativistic form of the wave functions, however,
the correction factor is more complicated [30] [48]
but it reduces to the Breit-Dirac expression for the
wavelengths used in crystallography. Equation (1 1) is
the best theoretical expression we have at present to
evaluate the Compton scattering by a free atom.
When the atoms are in a crystal, the problem should
refer to the whole quantized system. Failing a solution,
the main perturbations brought about by the crystalline
recoil velocity
248
3.4.
may be
state
described
more or
(i)
TABLE
less qualitatively as
follows
The wave function of the outer
electrons
must be
(See text, 3.4.4.1)
modified with respect to those of the free atom.

In the case of metals the conductivity electrons
may be considered as forming a free electron
gas [52]
(ii)
There
0-1 76
w=-
xlO- 8
Z*
477
sin
[10].
are, in the crystalline state,
forbidden states
a reduction
SiJZR
StJZR
0-05
0-319
0-6
0-909
0-1
0-7
0-929
0-2
0-486
0-674
0-8
0-3
0-776
0-9
0-944
0-954
0-4
0-839
0-880
1-0
0-963
for the recoil electrons. This results in
of the intensity of the Compton effect, which now

depends on the orientation of the crystal with
respect to the incident
(iii)
3.4.4.1
Calculation of the Compton-scattering Intensities after

Bewilogua, based on the Thomas-Fermi Model
and
scattered
beams
[33].
For metals and semiconductors, the interaction

between the photons and the proper vibrations of
the plasma (quantized system of valence electrons)
must be taken into consideration, at least at
0-5
small scattering angles.
Z is the atomic number,

scattered by a Free
Atom
The main problem
to be solved
is
how
to calculate
In recent work Tietz [44] modifies (12) by integrating

parts. By using in each part a special approximate
solution of the Thomas-Fermi equation he avoids the
numerical integration; the results thus obtained are
by
tions for numerical calculation of the integrals (9).
very similar to those of Bewilogua. The calculations

of inc might be further improved by using the solutions of the Thomas-Fermi equation which satisfy the
boundary conditions for atoms in a crystal [34] [38].
Thomas-Fermi Derivation
In this semi-classical method, derived independently

by Thomas [43] and Fermi [15], the electrons are supposed to form a degenerate gas obeying Fermi-Dirac
statistics and the Pauli principle. This model is simple
but can be used only for heavy atoms (see
3.4.4.2.
e.g. [37],
"Z
Compton scattering is given by:
{'-/[(*?)'-]
[()4M
expressed as a determinant, the self-consistent
method must be modified
w=0-n6xlO-*K/Z*
where K=(4it/X)
sin 6 is the
ing vector;
<f>(x) is
...(13)
magnitude of the
c.g.s.
The
shift
of the
relatively to
Hartree's treatment without exchange.

The numerical calculation of the wave functions has
been made for the light atoms and some heavier atoms
scatter-
the Thomas-Fermi function.
numerical coefficients are given in

tion limit x in (12) is given by:
field
Fock [16]). A
given by the two methods
(Slater [41],
comparison of the results

shows that Fock's treatment leads to a
electronic density towards the nucleus,
...(12)
with
Method
tion applicable to
Heisenberg [24] showed that with this model the
Self-consistent Field
This method [23] consists in writing the wave equaan electron in the potential created
by the nucleus and the other electrons in the atom. If,
to take into account the impossibility of distinguishing between the electrons, the atomic wave function is
p. 156).
intensity of the
the recoil factor R=(v'/vf.

expressed in
ine is the atomic incoherent intensity
electronic units.
the electronic distribution p(r) (classical approximation

(2)) or, better, if the much more satisfactory expression
(10) is to be used, to know the electronic wave func-
3.4.4.1.
A the wavelength in cm.
R is
3.4.4. Effective Calculation of the Incoherent Intensity
The
integra-
by means of these methods. They are basic to the

calculation of
inc by (6) or (10). The values of / (7)
have been calculated in this way for some forty atoms
All the values of
[26].
inc \R thus obtained are
(*>)*- *-o
tabulated in [6], page 782.

Calculations based on the Hartree-Fock wave functions and using the complete expression (10) (diagonal
and non-diagonal terms) have been made recently:
by Keating and Vineyard [29] for carbon in the
3 5
S configuration, which is a good approxiIs 2 2s 2p
The
integration in (12) has been carried out numerically by Bewilogua [2], using the values tabulated by
Fermi for <f>(x). He gave the values of inc \ZR as a

function of w (Table 3.4.4.1), This table can be used
for every atom for which the Thomas-Fermi approximation is valid (not for fight atoms) for an atom of
atomic number
and a scattering angle 20, w may be
calculated using (13).
:
mation for the atom in a covalence bond; by Freeman

{Continued on page 252)
249
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H
5
t~~vor^cnf<>r~(NoovooTi-r~~oof^(SOO\t~-^HOoovo<nTj-invo>OTi^Ôt^^^N0^xopTfmvooiooiriio^
oo\x>ovO'-ii-(rt
?7 d
.52
6
ooiiooo\^HTj-v-iTta\rî vo
5TtNt^-i(SOTj-ON^
as c> ci
o\'rf'^ roo\oo<nfnf<^for~-Tj-ONt^>n
,
AtSfSfSScn^fSfSrnrSr^fS'^(S^<^^T^îr>'^c^-^-o
în-HOO-<
oQOO'H'-<vovoQ^
(S*V0Mf0lO(N>O'5mt^fnV0^ rHÔ'H(^W^MV0MO'H-H0\
|
Ô^fpor~cp^vo^w^cfnooo>nfpofSrs|vo-^l-vo>n(S'i
r-;
o
"S
OO
< .d
i
i
-(_>
d
! E*
.a
CO
CO
coco
CO
C">
<S?
# CO CO CO < ^
u
tf tO CO Oh Ah
Oh CO Ph Oh Oh CO CO CO
# CO <3 CO
I
rH
-t
giggginiaoiMiiiiOiaoiutsoigiUtniiioioigioiMvioiEogiog
II
ho bo SQ
jhJpqmUZZOOOOOfccuZZZ^^^'coK'coUÛUU
250
3.4.
o * g
-i<*e
0,2 p
o
is
^^r>in^^^t^c^vbtôba\tôbtôb6\c!b6\o6N'-^
HHrtrtHHHlNlHHrtHHHHHHHrtrtHNHN
OM3\o\0'-'t-~vo(S ooi-if<)>nf<>tST]-oor-r^vovocô\p\
,
On
00 00
5-h
^h r- vo vo r--t-
f-r-r-t^<n(SfSvpvpvooOOfp"^
'twN>nvOoomPTtTtN-iN35|r)t^-HO"Ort\o :-<g\
6
oo\Ooovoro0^1"<Nvoo\ooTtr^<Soovoovor^tsor4^Hm
vovorrif-iôor^cnpnpnropocnoôiooor^r-ONooooot^
"9
Si
<oooNvo<oro(svovot~r--vovocnoor~oa\oooo\CT\o
(^
frj f~.
^ voo
>*/ i'
00 1^
r~oo
\*j î^
00 s*
o
>w s^ v^^
r*r w
>u ^t/ t^ ww l~ &
OONfSONt^W^f^ÔÔt'-OO^
v vn cn o> n^ v r .~-~obdbobt^t~obo\dbd\Ot~-obCTNOooa\oodbo\cbo\OooO
1
^<b/
i
3
pavooooo\vOr>0\0\
vb r do v r-
ootnfnooMO\Oooiôor>^mi~-N'Hfnats-vO<S'0^ o
|
OO
vo
s
^ i o O
m vo
n <N **
*i
OOO OOOOOOO
666
<-*
c>
a
c
00
o b s
251
3.4.
and by Freeman and Watson [22]

some forty atoms (see Table 3.4.4.2). The details of
[18] [19] [20] [21]
for
the contribution of each mn term may be useful for

interpolation to other atoms or ions not mentioned in
the table; they are given in the literature.
The calculation of these terms mn by integral (9) is
present possible measurements. Since the numbers

are the result of elaborate calculation, however, they
are recorded here;
TABLE
easy
when
the charge distribution has spherical symmetry (s- electrons or complete shells). When the
charge distribution does not have spherical symmetry

the values of /, depend on the orientation of the
scattering vector K. Freeman [17] gives a treatment
which takes into account the effect of non-sphericity
and averages to obtain the scattering by a free atom
with random orientation (monatomic gas). This
method was used
and they may be useful for purposes
of interpolation.
3.4.4.2B
Jinc\R for Oxygen and
Compton-scattering Intensities
Carbon based on Hartree-Fock
Same
(sin 0)/A
0-00
Wave
Functions [36]
notations as in Table 3.4.4.1
Oxygen
2p 4 3P 2
Is 2 2s 2
Carbon
2p 2 3P
Is 2 2s 2
0-000
0-355
0-10
0-000
0-272
0-966
0-15
1-865
2-141
by Milberg and
0-20
2-777
2-914
Brailsford [36]. The values are tabulated for boron in

Table 3.4.4.2A. Because of their importance for
0-25
3-594
4-275
4-819
5-243
5-569
3-451
4-238
4-372
to
obtain the results in Table
3.4.4.2A.
0-05
The incoherent scattering intensities have also been

calculated (with exchange) for the atoms of boron,
oxygen and carbon in the ground
state
0-30
experimental work on organic substances, we have

tabulated separately and at small intervals (Table
3.4.4.2B) the values for oxygen and carbon. The
values for carbon in the ground state [36] differ greatly
from those for carbon in a covalent state [29] for values
of (sin 6)1 A ranging from 0-1 to 0-5 -1
0-35
0-40
0-45
1-203
3-826
4-068
A
A comparison of the values given in [26] by James
and Brindley and in Table 3. 4.4.2 A shows very impor-
0-55
5-818
6-014
4-486
4-589
0-60
6-170
4-686
tant differences in the results of the calculations with
0-65
6-299
4-780
and without exchange. For every atom or ion for

which complete calculations have been performed
(Table 3. 4.4.2 A) it is naturally recommended that
0-70
6-408
4-871
0-75
these values should be used rather than those in [26].

have also mentioned earlier (3.4.3) the changes
0-80
6-505
6-593
4-960
5-044
0-90
6-674
6-750
5-125
Compton scattering in a solid as compared with that

by an assembly of free atoms [33], The numbers in
0-95
6-823
5-274
1-00
6-894
7-025
5-462
1-20
7-148
5-564
1-30
7-259
5-648
1-40
7-361
5-718
1-50
7-451
5-774
0-50
We
0-85
in
Table 3. 4.4.2 A and the experimental results published

for diamond, Al, KC1, CaF 2 and NaCl are, however,
in good agreement except for small values of (sin 0)/A
The values of Table 3.4.4.2A may
[45] [7] [35].
therefore also be used in the case of solids except for
1-10
5-202
5-341
In Tables 3.4.4.2A and B the values of inc /R are

given to three decimal places for Z<10 and two
decimal places for Z> 10. This accuracy is far beyond
252
3.4.
[1]
Alexopoulos, K., and Brogren, G. Ark.
[2]
Bewilogua, L. Physik.
[3]
Breit, G. Phys. Rev., 27, 362, 1926.
[4]
Compton, A. H.
[5]
Idem.
References
R. W. The Optical Principles of the Diffraction
of X-rays. (Bell, London, 1958.) [References
to publications before 1950, with exception of
publications on line breadths, are to be found
[25] James,
Fys., 6,
213, 1953.
[6]
[7]
[8]
[9]
Z., 32, 740, 1931.
here.]
Ibid., 21, 483, 1923.
Ibid., 35, 925,. 1930.
[27]
York, 1935). [All the references to the papers

published before 1935 are to be found here.]
[29]
[30]
[31]
Soc. franc.
[11]
Dirac, P. A. M. Proc. Roy. Soc., Alll, 405, 1926.
[12]
DuMond,
Keating, D.
T.,
C. R. Acad. Sci., Paris, 215, 278, 359, 1942.

Proc. Phys. Soc, A67, 9, 1954.
[36]
March, N. H.
[Provides also a bibliography and a discussion,

from a theoretical and experimental point of view
on Compton line broadening in solids.]
Meriel, P. 1959. Private communcation.
Milberg, M. E., and Brailsford, A. D. Acta Cryst.
11, 672, 1958.
[37]
Mott, N. F., and Sneddon, I. N. Wave Mechanics

and its Applications. (Clarendon Press, Oxford,
[38]
Payne, H. Phys. Rev., Ill, 418, 1958.
[39]
Raman, C. V.
1948.)
Evans, R. D. "Compton Effect," Flugge's Handbuch
[15]
Fermi, E. Z. Phys., 48, 73, 1928.
[40] Ross, P. A.,
[16]
[17]
Fock, V. Ibid., 61, 126, 1930.

Freeman, A. J. Phys. Rev., 113,
[41]
[18]
Idem.
der Physik, 34, 218, 1958.
Idem.
169, 1959.
Cu + Cu, Zn+
N~, 0~, O, 0+, 0+
F, F-, Si+ 4 , Si+ 3 ,
[N,
Ge].
[43]
[45]
[46]
1960 and private communi-
Freeman, A. J., and Watson, R. E. 1959. Private

communication.
Hartree, D. R. Proc. Camb. Phil. Soc, 24, 89, 111,
C. B. Ibid., 103, 558, 1956. [Al].

Phil.
I.
Mag.,
(7) 4, 1228, 1927.
Idem. Z. Phys, 51, 213, 1928.

[48] Idem. Ibid., 61, 837, 1930.
[49]
Waller,
I.,
A124,
Phys. Z., 32, 737, 1931.
253
and Hartree, D. R. Proc. Roy. Soc
119, 1929.
[51]
Wentzel, G. Z. Phys, 43, 1, 779, 1927.

Woo, Y. H. Phys. Rev., 41, 21, 1932.
[52]
Zener, C.
[50]
1928.
W.
Walker,
Waller,
[47]
cation.
Heisenberg.
Soc, 23, 542, 1926.
Si,
[22]
[24]
Phil.
[44] Tietz, T. Phys. Rev., 113, 1521, 1959.
Idem.
[23]
Thomas, L. H. Proc. Camb.
]
2
[21]
Ibid., 13, 190, 618,
Indian J. Phys., 3, 357, 1928.

P. Phys. Rev., 45,
and Kirkpatrick,
223; 46, 668, 1934.

Slater, J. C. Ibid., 34, 1293, 1929; 35, 210, 1930.
[42] Sommerfeld, A. Ann. Phys., Lpz., (5) 29, 715, 1937.
[Al]
Cryst., 12, 274, 1959. [Ne,
Ibid., 12, 929, 1959.
0+ 3
Cryst.,
Klein, O., and Nishina, Y. Z. Phys., 52, 853, 1929.

Laval, J. Bull. Soc. franc. Miner. Crist., 62, 137,
[14]
[20]
and Vineyard, G. H. Acta
Ibid., 64, 1, 1941.
[35]
a survey of the papers dealing with the structure

and the shift of the Compton line; describes
methods of experiment and calculation.]
Ibid., 113, 176, 1959.
Rev.,' 25, 314, 723, 1925.
Ibid., 37, 1193, 1931.
[33] Idem.
W. M. "The Linear Momenta of ElecAtoms and in Solid Bodies as revealed
by X-ray Scattering," Rev. Mod. Phys., 5, 1, 1933.

J. W. M., and Kirkpatrick, H. A. Phys.
Rev., 52, 419, 1937. [Provides a bibliography and
Acta
(7),
[32] Idem.
[34]
DuMond,
[19] Idem.
Mag.
1939.
3, 38, 1959.
[10] Debye, P. Phys. Z., 38, 161, 1937.
[13]
Phil.
9, 895, 1956.
Curien, H., and Deroche, C.

Miner. Crist., 79, 102, 1956.
Das Gupta, K. Phys. Rev. Let.,
Bull.
Jauncey, G. E. M. Phys.
[28] Idem.
Cribier, D. Ann. Phys., Paris, 4, 333, 1959.
trons in
W.
12, 81, 1931.

Theory and Experiment, (Van Nostrand, New
J.
R. W., and Brindley, G.
[26] James,
Ibid., 48, 573, 1935.
Section 4
INTERATOMIC AND INTERIONIC

DISTANCES
PAGE
4.1.
Interatomic Distances in Inorganic Compounds (H. Ondik and D. Smith)
4.2.
Tables of Bond Lengths between Carbon and Other Elements
4.3.
Interatomic
Distances
K. Lonsdale)
in
Metallic
Crystals
(W.
(O.
..
257
Kennard)..
275
Hume-Rothery
and
277
4.1. Interatomic
Distances in Inorganic Compounds
These tables of interatomic distances include values

obtained experimentally from compounds usually
considered inorganic, but not intermetallic. The
Tables of Interatomic Distances and Configuration in
Molecules and Ions [2] were used as a major source.
These data have been supplemented by surveying the
same kind of atom. In many instances a difnumber should have been considered, but in general the reported numbers were
used. Many structure papers do not indicate cation
co-ordination distances, and therefore valuable information is lost. No attempt was made to calculate
such distances from the reported parameters. For
distances within a complex ion or molecule, the formula or name is given. The letter (g) means a determination in the gas phase. If a distance was determined both in the gas and solid phases with no
all
sources listed there for values not included in that

book, by examining the more recent literature to 1st
January 1960, and by using short summaries of bond
lengths kindly supplied by others.
Only distances whose reported 2a (where a is the
standard deviation) is less than 0-10 A have been considered. Exceptions include a few distances involving
heavy atoms in well refined structures. Many values
from apparently well determined structures have not
been included, either because the authors did not discuss the errors or because such discussion was too
vague to be useful. Where a large number of values
was available only the better data were used. It
should be recognized that the reported 2a must be
accepted with caution, since few estimates include
thorough consideration of all sources of error. In
cases where large discrepancies occur between similar
distances, an arbitrary choice was made on the basis
of the methods involved and the date of measurement.
No distinction between the various experimental
methods has been made. For spectroscopically
measured distances, r e and r values* have not been
distinguished
significant difference in the values, the gas
phase is
not indicated separately. Values for regular configurations are not reported separately unless these
distances differ
by 0-02
or
more from
the average
of the values for the irregular configurations. Bond

types have been indicated where appropriate.
In the column headed "Range of distances," the
limit given is the maximum 2a of the values in the
range. If no range is listed, either the configuration
is regular or none of the reported values differ sig-
when their errors are considered.

Under "Average distance" the values
nificantly
interpreted in the following way.
are to be
Entries for which a
range of values is also given indicate the arithmetic

average of the values in that range. Where the distances show a relatively smooth frequency distribution the median value is given in parentheses if it
differs from the average by 0-02 A or more. If the
errors on the included values do not justify giving a
range, generally the average distance is given with the
maximum error of the values which were considered.
Where either several spectroscopic determinations or
precision lattice determinations have been made and
no errors were reported, the average value is given
followed by the maximum deviation and (av). If only
one such determination was found, it is listed with no
error and should be considered good to 5 in the last
and distances for excited states and short-
species have been omitted.
Except in the case of

hydrogen no isotopes have been reported separately.
life
the
ferent co-ordination
The elements are listed in the order of their appearance in the Mendeleeff groups. The distance is reported under the more electropositive element of the
pair.
Exceptions are distances involving hydrogen
and oxygen. Distances involving the ammonium ion
are listed after potassium in group I A, and lanthanides
and actinides are in group IHA. The above order is
followed for the second atom also. Oxidation states
are indicated only for elements where more than one
state commonly exists. Information concerning hydrogen-bond distances is reported in Table 4.1.12.
For atoms involved in ionic bonds, a number in the
column headed "-fold co-ordination or compound"
means that the central atom has n nearest neighbours.
If the word "mixed" appears, the neighbours are not
place.
The column "No. of
deter." gives the
number of
separate determinations which have been considered.

Because of the limits which were set for the inclusion of data in these tables, much useful information
has been omitted. For further information and details

the Tables of Interatomic Distances [2] and the original
literature should be consulted.
* r e values are the internuclear separations in absence of vibration; r

zero-point vibration.
257
are the
mean
internuclear separations
when
there
is
H
D
O
S
F
ID
H
OH
S
F
I
4.1.
INTERATOMIC DISTANCES IN INORGANIC COMPOUNDS
TABLE
4.1.1
Element
w-fold co-ordination
Bond
or
compound
GROUP
HH (D)
Li
Li
LiH
Li
Li
6
6
4
6
Li
Li Se
LiTe
Li
LiCI
LiBr
Li
Na
Na
Compounds
Range of
Average
No. of
distances (A)
distance (A)
deter.
IA
0-741 51 (av)
(S)
4
4
4
LiF
l-5952(av)
(g)
2-043 1
2-033l
1-86-2-05 (9)
2-00-2-41 (4)
2-600
2-816
1-518
(g)
2-01
6
6
2-5648
Lil (g)
6
NaH
1-8873
(g)
2-440l
7
6
2-22-2-59 (6)
2-32-2-46 (4)
2-38 (2-34)
2-37
2-25-2-78 (5)
2-29-2-75 (5)
2-44 (2-41)
2-53
2-826
2-948
3-167
2-315
NaCl
2-3606l
2-81997
2-5020l (av)
(g)
NaBr
(g)
2-983 3 (av)
Na
K
K
K
Nal
(av)
3-001 1 (av)
NaBr
2-7483 (av)
2-3919l
Na
NaSe
NaTe
Na
NaCI
Na
1-98
2-16 (2-14)
2-472
2-7115l
()
3-237
KH(g)
KD(g)
2-244
2-29 8
2-787
4
6
2-72-2-91 (8)
2-67-2-98 (2)
2-83
2-83 (2-80)
2-96 (2-91)
10
2-66-3-10 (6)
2-65-3-21 (5)
2-71-3-03 (4)
12
2-88-3-25 (5)
3-07
7
8
258
2-11
2-91
FF
HO
O
H
F
I
SISI
4.1.
TABLE
4.1.1 {continued)
H-fold co-ordination
Bond
Element
or
K
K Se
KTe
K
compound
Compounds
Range of
Average
No. of
distances (A)
distance (A)
deter.
4
4
4
3-200
2-673
3-324
3-530
2-843
2-59-2-94 (4)
KCI
KC1
6
3-12-3-27 (4)
3-25-3-92 (5)
7
12
KBr
KBr
NH +
4
2-833
4
6
8
12
NH + CI
NH +
Rb
Rb
Rb
Rb
2-80-3-25 (10)
2-79-3-38 (10)
2-96
2-89-3-39 (4)
3-27-3-68 (10)
3-12
2
2
3-37
RbBr
RbH
(g)
2-90-3-20 (4)
RbF
RbCl
2-786706
(g)
3-2905
RbBr
2-9448 1
3-425
(g)
Rbl
(g)
Cs
Cs
Cs
CsH
()
3-00-3-59 (14)
3-28-3-42 (10)
12
Cs
3-54-3-82 (3)
3-48-3-91 (3)
9
10
Cs
CsF
CsCl
CsBr
2-494
3-27
3-37 (3-40)
3-68
3-65
(g)
2-9062 1
(g)
3-0720l
3-573
3-58-4-02 (2)
3-71-4-27 (2)
9
11
Cs
3-010
Cs Br
3-1769l
3-6674 (av)
2-3453l
(g)
Cs CI
2-367
2-99
2-26554
2-84
(g)
Rb
3-06
3-622
RbCI
2
2
3-3000
3-0478
3-5327
KI(g)
6
NH
3-1464
3-20
3-50 (3-37)
2-8207 1
(g)
2-82
2-6666l
(g)
3-720
3-72 (3-65)
401
Csl (g)
3-3150l
3-955
259
O
N
OFO
S
F IFF
OO
S
I
4.1.
TABLE
4.1.1 (continued)
Element
co-ordination
Az-fold
Bond
compound
or
GROUP
Cu
Cu(II)
Cu(I) CI
1-93-2-27 (5)
(CuCl) 3 ring(g)
4
2-16015
(2
4,6
in
in
Mg
Ca
2bridge
2-31-2-35 (5)
2-43-2-48 (5)
AgSCN
AgSCN
2-225
2-425
2-422
chains
chains
2-47-2-74 (6)
2-80-2-85 (5)
2
2
IIA
1-3308
(g)
1-60-1-69 (6)
MgO
2-885 2 (av)
2-82
2-244
2-334
bridge
CI !
Au 2^6
(terminal
BeO
2-62
2-773
1-65
1-749
(g)
MgO)
2-101 5
1-88-2-28 (5)
2-03-2-18 (3)
Mg-S
2-595
2-725
1-991
2-30-2-55 (4)
2-29-2-80 (8)
6
7
2-29-2-82 (5)
2-41-3-01 (2)
Ca Se
CaTe
Ca
2
2
2-341
2-45/
(Mg,Fe)
Ca
2-4597
2-6169
6 (in
Mg Se
Mg
2-3407
terminal
Mg
2-04*
2-343 2 (av)
Ag
Ag
Ag
Be
GROUP
Be
1-97
2-66 (2-46)
2-34
1-842
4
4
AuCI
IB
2-28-2-42 (5)
Au
deter.
4
4
Cu(I) Br
Cu(I)
AgBr
Ag
No. of
l-854
4(inchains){
Ag-Cl
Average
distance (A)
1-88-2-04 (6)
2-23-3-97 (6)
Ag
Range of
distances (A)
s
Cu(II)
Cu(I)
Cu(II)
Compounds
2-07 (2-10)
2-10
8
7
2-40
2-46 (2-42)
2-47 (2-45)
2-57 (2-46)
2-955
3-172
2-30-2-41 (3)
2-36
* Distances have also been reported for CuF .2H

and CuCl 2 .2H 20, where 2 halogen and 2 oxygen atoms form a 4-fold planar
2
2
CI 2-28 A. Fluorine atoms at 2-47 A, and
F 1-89 A and
distance is 1-93 A,
co-ordination figure about Cu. The
CI atoms at 2-91 A complete distorted octahedra about the Cu atom.
CuO
Cu
260
Cu
O
H
B
N
FO
S
FSIF
O
F
I
4.1.
TABLE
4.1.1 {continued)
Interatomic Distances in Inorganic Compounds
Element
n-fold co-ordination
Bond
or
Sr
Sr
compound
No. of
deter.
2-5801
2-60-2-64 (6)
Ba
BaOte)
1-940
2-76
2-87
2-68-3-09 (6)
2-78-2-90 (2)
2-86
3-18-3-49 (8)
3-35
2-65-2-91 (4)
2-67-3-14 (6)
6
9
10
12
9 (mixed)
6
2-6823 (av)
GROUP
6 (in
2-103
2-025
2-245
2-342l (av)
2-032 (av)
2-392
2-422
Zn0 2)
(?
I
Zn
Zn
ZnBr
Zn
Cd
Cd
CdCI
CdBr
Cd
2-3462
2-333
CdCl 2 (g)
CdBr 2 {g)
Cdl 2 (g)
2-23 3
4
Znl
HgHg
Hg
in
Hg(II)-0
Hg(I)-Cl
Hg(II)CI
(g)
2-372
2-582
Hg 2 ++
B
B
B
See
[IA
1-03-1-28 (8)
1-16-1-36 (8)
BN; and
in borates
BF 3
Hg distance
in the
1-16 (1-12)1
1-28 (1-33)/
l-25 5 2
BH 4
borane type
in cubic BN
B
B
2
2
I]
terminal
bridge
"
in addition
The Hg
2-575
2-273
(g)
in hex.
t Classification of
(av)
2
2
in boranes
in
(av)
2-03 5
GROUP
B
(av)
2-42-2-66
(8)*
2
2
2
HgCl 2
IIB
Cd
2-84
3-493
Zn
2-62
2-5112
3-0209
Sr
SrCI
Ba
BaTe
Ba
Zn
Average
distance (A)
6
8
Ba
Range of
distances (A)
borazoles
compounds
1-60-2-01 (5)f
1-57
1-78
1-41-1-45 (4)
1-43
1-56-1-64 (5)t
1-28-1-46 (6)
1-36
5
12
1-38-1-54 (6)
1-48
10
l-29525
(g)
mercurous ion varies depending on the anion
in the
compound.
BB distances on the basis of bond type or co-ordination number did not prove feasible.
[8].
261
OO
IF
S O
SO
4.1.
'
INTERATOMIC DISTANCES
TABLE
IN
INORGANIC COMPOUNDS
4.1.1 (continued)
(contd.)
co-ordination
/7-fold
Bond
FJpTTlPTlt
LjlVlllVill
or
compound
in
Al
Al
Ce
1-33-1-39 (6)*
B 2 C1 4
B 4 C1 4 B 8 C1 8
BBr 3
1-65-1-75 (6)
ai * b
Al
AWete)
^>
1-70
{
te
1-785
1-91
2-064
2-214
2-214
2-334
2-534
2-584
ai
("
YCI
9
6
Ce(IV)
Ce(II)
2-8995
2-975
3-086
Te
Eu
YbSe
YbTe
Th
1-77-1-80 (6)
1-85-1-98 (3)
4f
Al Br
l-433
l-752
l-732
l-872
(g)
A.<d.fe)
Eu
Yb
deter.
BC1 3
Al CI
Eu
Eu Se
Eu
No. of
BF 4 "
Average
distance (A)
l-327
compounds
BBr
Range of
distances (A)
B 2F4
in addition
B CI
Compounds
2-37-2-43 (3)
2-42-2-54 (6)
2-40
2-58-2-69 (10)
2-63
2-18-2-82 (6)
2-46
2-33 (2-35)
3-286
2-510
2-933
3-170
Th(IV)
2-42l (av)
Th(II)
Th(II) Se
2-841
ThCI
ThCl 4
Pa
Pa
U(IV)
U(VI)
in
2-613
2-480
2-3653
U0
11-69-1-76 (10)
++
See
1-73
1-9210
9
2
2-16-2-39 (10)
2-28
2-24-2-47 (10)
2-29-2-51 (4)
2-35
2
2
2-39
2-2410
2-5010
5|
6J
[8].
+ See Si
2-937
(g)
4t
st
6t
U(V1) F
O distances.
These co-ordination numbers exclude the two short distances
in
262
U0 2 ++
which complete the polyhedra.
F
OOO O
HO
F
I
4.1.
TABLE
4.1.1 {continued)
Element
Bond
or
compound
Compounds
Range of
Average
No. of
distances (A)
distance (A)
deter.
Np
Np
2-354l
Pu
Pu
2-337l
Am
Am
2-331
GROUP
Ga
GaCI
GaCl
In
In
InCI
InF
In(III)CI
InBr
In
Tl
IIIB
2-208
(g)
1-9847
(g)
2-4012l
InCl (g)
6 (mixed)
InBr (g)
2-52-2-71 (5)
2-5408l
2-862
2-703
Inl (g)
In(III)
Tl(III)
Tl
Tl CI
TlCl(g)
2-2210
2-0844l
2-4848l
TIFfe)
8
3-320
2-48 8
TlBr(g)
2-6181l
2-585
2-8136l
Tl(III)CI
TlBr
Tl(III)Br
Tl
TH(g)
3-632
GROUP IVA
Ti
Ti(II)
Ti(II)
1-923 3
2-117
Ti(IV)
6 in
Ti0 2 L
6*
Ti(III)
Zr
l-78-2-38(10)
TiCI
Ti Br
TiCl 4 (g)
TiBr 4 (g)
Zr
2-04-2-26 (5)
Hf
ZrCl 4
Hf
2-01 (1-98)
2-16
2-183
2-32l
ZrCI
l-972
l-923
2-19l
2-312
Ti(IV)
1-97918\
l-9428 J
(g)
2-215
Because of the variable valence, distances found in Ti 3 5 were not included, but they fall within the reported range and their
would not change either the average or median. In the tetragonal titanates the Ti in the TiO e octahedra is displaced
towards one corner of the polyhedron such that four distances remain equal with a value near the average octahedral distance, one
distance is lengthened and one shortened, significantly.
*
inclusion
263
4.1.
TABLE
4.1.1 {continued)
co-ordination
/i-fold
Bond
Element
or
compound
GROUP
Si
Si
Si Si
Compounds
Range of
Average
No. of
distances (A)
distance (A)
deter.
IVB
1-46-1-54 (5)
silanes (g)
4
disilanes (g)
Si
Si
Si
Si
Si CI
SiBr
Si
Ge
Sn
1-59-1-63 (4)
SiCl 3 SH (g)
SiF 4
silanes (g)
silanes (g)
germanes
germanes
germanes
germanes
SnH 4
Sn(II)
4
4
Sn(IV)
SnCI
SnCl 2
SnCl 4
SnBr 2
SnBr 4
Pb(II) Se
Pb(II)
Pb CI
Pb Br
Pb
1-612*
10
2-142
l-553
1-58
2-01
12
2-15-2-21 (3)
2-18
1-52-1-55 (5)
(g)
1-53
2-4498
(g)
2-41 2
(g)
l-893
l-683
2-10
2-067-2-148 (5)
2-29-2-34 (4)
(g)
(g)
(g)
2-31
2-493
1-7011
(g)
2-8009
2-21 1
2-05414
2-422
2-314
2-552
2-442
2-732
(g)
(g)
(g)
(g)
Snl 2 (g)
Snl 4
2-64-2-69 (4)
PbS
2-433
2-67
2-30l
2-53-3-20 (5)
12
Pb(II)
2-336
l-742
2-152
silanes (g)
sii 4 Or)
Pb(II)
14
1-55-1-60 (2)
1-99-2-05 (3)
SiBr 4 (g)
Ge
Ge
GeCI
GeBr
Ge
Sn
(g)
silicates
germanes
4
germanes
SnBr
Pb
N(SiH 3) 3
Ge
GeGe
Sn
Sn Sn
1-48
2-3517
2-82
2-395
(g)
2-96793
6
7
6
2-29-3-29 (10)
2-98
3-0621
2-5665
PbCl 2 (g)
PbCl 4 (g)
PbBr 2 (g)
Pbl 2 (g)
2-462
2-434
2-603
2-792
(av)
* This value was obtained by considering only tetrahedra in which no aluminium substitution takes place. For a discussion of
the linearity of tetrahedral distances for (Si,Al)
with respect to the molar ratio of Si to Al see [10].
In examining well-refined structures of both ortho- and polysilicates, including those with aluminium substitution, the tetrahedra
showed marked regularity. Forty-five tetrahedra were considered. In 32 cases none of the individual distances was found to differ
from the average tetrahedral distance by more than one reported standard deviation. In only one case did the distances vary from
the average by more than three standard deviations.
264
OPH
O
S
N
P
O
S
FO
F
O
F F
4.1.
TABLE
4.1.1 (continued)
Range of
Average
No. of
distances (A)
distance (A)
deter.
w-fold co-ordination
Bond
Element
compound
or
Compounds
GROUP VA
1-50-2-16
(see
V(III)
CI
Nb
Nb
Table 4.1.7)
l-949
2-032
2-123
VCl 4(g)
VC1 3 (g)
1-951
l-992
1-951
2-293
6 (mixed)
2 Cl 6
6 (mixed)
Nb 2
Nb
NbCI
NbCl 5
(g)
Nb 2 Cl 10 Nb 2
,
2 Cl 6
2-24-2-30 (4)
(terminal
2-546
2-465
(bridge
Ta
NbBr
NbBr5
Ta
TaO
Ta
TaCI
TaBr
(g)
1-827
(g)
6
6 (mixed)
6 (mixed)
2-2155
TaCl 6
TaBr5
2-302
2-453
1-951
1-951
(g)
(g)
GROUP
N
N
N
N
N
N
NCI
NBr
P
P
P
A/B
0-99-1-13
(see
(see
2-375 has been reported for
Table 4.1.3)
1-50-1-78
(see
Table 4.1.4)
1-14-1-51
(see
sulphamides and
4S 4
H4
Table 4.1.5)
1-57-1-75 (6)
NF 3 (g)
F2
(g)
NOCl
N0
(g)
C1 (g)
NOBr
(g)
PH 3 (g)andPH 4 +
P4
sulphides
sulphides
PP in P 4 S 7
1-66
l-372
l-444
1-971
l-8402
2-142
and
1-4195
selenides
2-20-2-26 (6)
1-43-1-68
{^^
stands for halogen atoms.
265
2-23*
6
4
2-09
1-95
1-87
Table 4.1.6)
2-02-2-19 (6)
1-91-1-98 (6)
1-85-1-89 (6)
PSX 3 t
*
Table 4.1.2)
1-09-1-47
(see
2-26
4.1.
TABLE
4.1.1 (continued)
Bond
Element
PSe
P
compound
or
P 4 Se 3
and oxyhalides
halides
P 4N 4 F 8
PCI
Compounds
Range of
Average
No. of
distances (A)
distance (A)
deter.
2-18-2-30 (3)
1-50-1-59 (5)
1-95-2-05 (6)
As
and oxyhalides
halides
As
AsH 3
As
As 4 (g)
As 4 S 4 (g)
As 4 S 4 (s)
As 4 6
As
As
2-06-2-18 (4)
(s)
arsenates
As
As
AS4S4,
AsF 3
As 4 S 6
(g)
(g)
Sb
As CI
AsBr
AsCl 3
AsBr 2
Sb
Sb
Sb CI
Cl 5 SbOPCl 3
SbH 3
SbCl 3
SbCl 3
(g)
(g)
(g)
(5)
s*H^
Bi
Bi
Bi CI
Bi Br
10
2-004
2-13
1-5172
2-443
2-494
2-5410
l-792
l-755
2-235
1-7125
1-8010
2-1614
2-334
(av)
2-43 6
2-316
2-26-2-44 (8)
SbBr 3
2-01
l-7085
2-184
2-3255
2-366
(g)
Cl 5 SbOPCl 3 SbCl 8 I
Sb Br
Sb
2-043 3
and oxyhalides
P 3N 3 C1 6 P 4N 4 C1 8
PBr
1-53
l-524
PCl.fe)
halides
2-24
2-34
2-523
2-755
(g)
Sbl 3 (g)
2-20-2-54 (10)
2-35
2-482
2-632
BiCl 3 (g)
BiBr 3 (g)
GROUP VIA
Cr
Cr(III)
/4
NCS-
2-056
2-156
l-573
l-535
l-554
l-644
l-988
|2NH 3
Cr
Cr0 2 Cl 2
(g)
KCr0 3 Cl
Cr(VI,
VII)
Jl
|3
IV)
Cr(V)
Cr(III,
terminal
bridge
l-94 4 3
l-89 5 3
fi
Cr CI
Cr0 2 Cl
2-122
2-164
(g)
KCr0 3 Cl
266
H
O
S
F
OO
FO O
O
F
4.1.
TABLE
4.1.1 {continued)
Bond
Element
Mo
or
Mo(VI)
(terminal
C] ">
(bridge
Uo
W CI
No. of
deter.
W CI
1-79
1-951
2-246
2-536
2-404
2-484
terminal
(
GROUP
V1B
0-936-1-085
Oi,-O 2 S 2 F 10
-,
S
S
(See Table 4.1.8)

1-45-1-50 (6)
(g)
o3
1-48
l-282
10
1-2074
(g)
s*
Average
distance (A)
Mo CI
O*
Range of
distances (A)
l-70-l-83(6)
Mo(III)
compound
Compounds
l-33513(av)
(g)
1-39-1-61
(See Table 4.1.9)

1-89-2-16
(See Table 4.1.10)
S Se
S
BaSeS 4
2-175
halides (g)
and
oxyhalides (g)
SCI
halides (g)
SBr
-56
1-98-2-07 (5)
2-01
2-232
2-342
and
oxyhalides (g)
halides (g)
1-53-1-59 (3)
and
oxyhalides (g)
Se
STe
BaTeS 4
Se Se
Se 2 (g)
2
2-1523
2-354
2-575
1-613
IrSe 2
Se
Se0 2 (g)
Se(IV)
Se(VI)
SeF 4
SeF 6
TeTe
Te 2
(g)
(g)
2-592
2-822
2-903
2-363
2-332
2-512
(g)
TeBr
FeTe 2
TeCl 2 (g)
TeCl 4 (g)
TeBr 2 (g)
Po
Te CI
Po
* See
[1
for a review of
and S bond
1-75
1-615
l-76525
l-683
Se
Te
1-72-1-78 (5)
2-462
lengths.
267
4.1.
TABLE
4.1.1 (continued)
or
compound
GROUP
Mn
Re
CI
Average
No. of
distance (A)
deter.
VIIA
Mn(II)
Mn
MnO aF (g)
Mn(II)
2-425
2-6093
Mn(II)Se
Mn(II)
6
6
6
Mn
MnO sF (g)
Re
Re
ReCI
oxyhalides (g)
2-08-2-37 (2)
2-21
l-5865
(av)
2-724
2-124
l-7245
l-6975 (av)
l-8598
2-2294
OF 2 ()
0-91736
1-41519
F2
1-4181
Re0 3 F (g)
Re0 3 Cl (g)
GROUP
F
Range of
distances (A)
Bond
Element
Compounds
F
F
F
HF(g)
CI
CI
HC1
CI
ClF(g)
VIIB*
te)
(av)
1-27451 (av)
(g)
1-41-1-69
(see
Table 4.1.11)
1-6281
1-601
1-701
CICI
Br
Br
Br
Br
Ch(g)
1-988
Cl 2
2-028
(s)
HBr(g)
BrO
1-4141
l-652
(g)
BrF(g)
1-7556
1-721
1-811
BrCI
BrBr
BrCl (g)
Br 2 (g)
I
I
ICI
iodates
2-183
2-28715
HI(g)
1-78-1-90 (5)
2-408
2-298
2-396
2-706
2-6615
2-685
^rl
(terminal
(bridge
h(g)
h(s)
1 2 in I 7 ~
I3
and
"
For a discussion of polyhalogen bonding see
The
I distances in I 3 ~ are
2-3207
T
l
1-83
IC1
IC1 2 +
l-6097 (av)
ICl(g)
(s)
I8
2-76 and 2-83 (3)

2-82-3-04 (3)f
[7].
not always symmetrical. See
f6]
for a discussion.
268
2-92
FO
FO
O
FO
S
FO
F
O
FO
4.1.
TABLE
4.1.1 (continued)
Ai-fold
Bond
Element
or
co-ordination
compound
GROUP
Fe
Mg)
6
6
Fe(III)
Fe(II)
Ni
Fe(II)
6 {*
Fe(III)
Fe(II) CI
Co(II)
6 (in
6
Co(II) Se
Co(II)
Co(II) CI
6
6
6 (mixed)
NiN(CN",
NH
Average
No. of
distance (A)
deter.
VIII
l-866
1-94-2-31 (8)
2-03-2-18 (3)
2-14
2-10
1-89-2-15 (8)
2-01
2-275
2-255
2-122
l-993
l-923
2-382
4
6
Co
Range of
distances (A)
Fe(III)
Fe(II)
(Fe,
Compounds
2-1333
CoO)
2-1410
2-432
2-044
2-5310
2-ll4
2-0852 (av)
2-003
Ru
Ru
Ru
l-795
l-985
Rh
Rh
l-985
Pd
Pd
2-012
2-164
2-045
Pd(II)
Pd(III) F
2-524
Pt
2
2
3)
Ni
Ni
Ir
Ir Se
2-43 5 4
Ir
2-015
PtN(NH 3)
Pt
Pt S(SN-)
Pt CI
2-065
2-024
2-244
2-34l
269
..
4.1.
TABLE
Nitrogen
Hydrogen Bond Distances
inNH 3 (s)
inNH 3 (s)
inNH 4 +
No. of
deter.
double
11
single
N
N
TABLE
inP 3N 3 Cl 6 ..
in P 4N 4 (CH 3) 8
in P 4N 4 (NCH 3) 8
single in
4 (5)
1-75
Average
No. of
distance (A)
deter.
1-60
.
1-58
1-68
1-512
l-674
l-786
..
NaHP0 3 .N h
TABLE
4.1.5
Range of
distances (A)
inNO(g)
Average
distance (A)
l-15074(av)
NO (g) and nitrosyl compounds

in N0 - and N0 NO in nitryls and nitric acid
NOH in HN0 (s)
in HN0 (g)
inNH OH
in NH OHCl
in KS0 NHOH
o
4.1.4
l-603
Nitrogen
in
5
3
l-643
(g)
(side-chain
P 4N 4 F 8
inP 4N 4 Cl 8
deter.
Phosphorus Bond Distances
Bond Type
in
No. of
extended single in
Nitrogen
Average
distance (A)
1-09761
1-13110
1-241
l-444
partial triple
1-063
(in ring
Nitrogen Bond Distances
triple
0-992
linkages
4.1.3
Bond Type
l-03320
l-063
1-0211
HNO (g)
CN
Average
distance (A)
H3l
inHN 3 (g)
next to
Nitrogen
1-008 5
inN 2 H 6 ++
in
TABLE
4.1.2
No. of
deter.
1-14-1-21 (4)
1-22-1-27 (5)
1-18
1-24
1-19-1-25 (7)
1-22
20
l-296
1-412
l-473
l-454
1-514
3
3
270
4.1.
TABLE
4.1.6
Oxygen Bond Distancesf
Phosphorus
in oxyhalides
inH 3 P0 3
Range of
Average
No. of
distances (A)
distance (A)
deter.
1-45-1-56 (5)
Jp~OH
1-49
l-475
l-545
'
in orthophosphates:
normal
acid
1-512-1-549 (22)
{p~oH"
::
::
1-534
1-51140
l-57648
2
2
1-48
7
9
in polyphosphates:
1-43-1-52 (8)
1-56-1-68 (8)
terminal
bridge*
1-62
* In chains of 3 and rings of 4 tetrahedra systematic alternation of these lengths has been found. The bridge bonds on one
tetrahedron are equal but different from those of an adjacent tetrahedron. In four structures the shorter distances range from 1-58 to
1-62 (6)
and the longer from 1-63 to 1-68 (6) A. Only one bridge distance, 1-62 A, has been found in an infinite chain phosphate.
The significance, if any, of these values is yet to be established.
t See D. W. J. Cruickshank, /. Chem. Soc, 5486, 1961. (Added in proof.)
TABLE
Vanadium
4.1.7

Range of
Average
No. of
distances (A)
distance (A)
deter.
Orthovanadates
1-7410
Polyvanadates:
V(V)O
tetrahedra:
2 terminal
2 bridge
trigonal pyramids
l-662
1-812
terminal
l-504
l-694
3 bridge
trigonal bipyramids:
2 terminal
3 bridge
V(IV, V)
l-664
l-944
O square pyramid*
1
terminal
4 bridge
V(III,
IV) O
A sixth VO
octahedra
distance ranging
bonds usually show the
closest
from 2-22 to
3-41
is
1-52-1-68 (6)
1-75-2-16 (6)
1-59
1-76-2-10 (10)
1-98
reported opposite the terminal bond.
approach of this sixth oxygen.
271
1-91 (1-89)
The groups with the longer terminal
4.1.
TABLE
4.1.8
OxygenHydrogen Bond Distances
in
in
H
D
Range of
Average
No. of
distances (A)
distance (A)
deter.
0-98l
1-011
in water of crystallization
0-95-1-03 (6)
0-99
OH"
inKH P0 4
0-94-0-99 (2)
0-97
in
l-08 5 3
TABLE
Sulphur
SF a O (g), SF 2
inS0 2 (#)
in
in
SC1 2
in
RS0 3 *
(g),
SC1 2
(g),
Oxygen Bond Distances!
SO a (NH 2 ) 2
in
Range of
Average
No. of
distances (A)
distance (A)
deter.
1-370-1-412 (10)
1-395
l-4323 (av)
l-443
(g)
1-39-1-50 (8)
1-44-1-53 (4)
inS0 4
inS 2
4.1.9
1-45
1-49
l-50534
1-415
1-614
l-665
S 2 O 2 F 10
(g)
RSO s
See footnote t to Table 4.1.6.
stands for ions in which the
atom adjacent
to the sulphur of the
TABLE
Sulphur
in
9
6
(S0 3) n chains:
terminal
bridge
in
4
4
SO a
is
either nitrogen or sulphur,
4.1.10
Sulphur Bond Distances

Range of
Average
No. of
distances (A)
distance (A)
deter.
1-8881 (av)
(g)
inS (5)..
inS 8 (#)
inS 2 Cl 2 (s), S 2 Br 2
2-03610
2-072
l-97 5 4
()..
....
in polysulphides and polythionates
in S
in S
in S 2
l-986
in S 2 F 10 (g),
S2
1-99-2-12 (8)*
2-07
2-154
2-393
2-213
..
* In the chains of sulphur atoms a pattern of long and short distances has been found.
2-02 A, and the average of the longer is 2- 10 A. For a discussion see [3].
272
The average of the
shorter distances is
4.1.
TABLE
4.1.11
Oxygen Bond Distances*
Chlorine
Range of
Average
No. of
distances (A)
distance (A)
deter.
inCl 2 0(g)
l-692
l-54640
l-573
1-49114
CIO (g)
inC10 a inC10 2 (g)
inC10 3 in CIO 4 in
1-46-1-49 (6)
1-41-1-48 (6)
1-47
1-44
inHC10 4 (g):
CIO
CIOH
inCl 2
1-421
l-642
(g):
1-421
l-723
terminal
bridge
For a discussion of CI
O distances see
[5].
See also footnote t to Table
TABLE
4.1.6.
4.1.12
Hydrogen-bond Distances*
Range of
Average
No. of
distances (A)
distance (A)
deter.
O. .O:
.
in
in
D
H
(hexagonal
2-75616
2-79816
ice)
in inorganic salts containing water

in inorganic acids
and acid
salts
N. .N:
inNH 3
inND 3
inHNCO
inN H 4
N. O:
2-49-3-15 (6)
2-48-2-69 (8)
2-74
16
2-61
3-38l
3-35l
3-072
3-19-3-30 (4)
both
NH ... O and OH
N. ..CI:
inN 2 H 6 Cl 2
inNH 3 OHCl
N. .F:
in N 2 H 4 2HF
inNH 4 HF 2
inNH 3 BF 3
2-73-3-22 (10)
2-88
3-108
3-16-3-26 (7)
2-622
2-803
3-013
... CI:
inH 3OCl
inNH 3 OHCl
F.
2-952
2-99-3-05 (6)
F:
inHF
inKHF 2
*
For
detailed information see [4]
2-49l
2-26l
[9].
273
4.1.
[1]
Abrahams,
References
Quart. Rev. Chem. Soc, Lond., 10,
[5]
Chemical Society Special Publication No. 11. Tables

of Interatomic Distances and Configuration in
Molecules and Ions. (Chemical Society, London,
[6]
S.
C.
407, 1956.
[2]
[7]
[8]
1958).
[3]
Foss, O.,
Pimentel, G. C, and McClellan, A. L. The Hydrogen Bond, chap. 9. (Freeman, San Francisco, 1960).
[10] Smith, J. V. Acta Cryst., 7, 479, 1954.
[9]
Fuller,
W.
Idem. Rec. Trav. chim. Pays-Bas, 78, 724, 1959.

Hoard, J. L., Geller, S., and Owen, T. B. Acta
Cryst., 4, 405, 1951.
and Tjomsland, O. Acta Chem. Scand.,
12, 44, 1958.

[4]
Gillespie, R. B., Sparks, R. A., and Trueblood,

K. N. Acta Cryst., 12, 867, 1959.
Havinga, E. E., and Wiebenga, E. H. Ibid., 11, 733,
1958.
J.phys. Chem., 63, 1705, 1959.
274
4.2.
Tables of Bond Lengths between Carbon and Other Elements
The
tables are based on bond-distance determinations

by experimental methods, mainly X-ray and electron
diffraction, and include values published up to 1st
January 1956. The Tables of Interatomic Distances and
Configuration in Molecules and Ions (Chemical Society
Special Publication No. 11, London, 1958) were used
and bismuth should be
as principal source book.
Averaged values of bond distances were taken from
distance determinations, since in the derivation of

these certain sources of error may have been neglected.
the Table of Selected Bond Lengths {ibid.), where, in

any averaging, determinations with a standard deviation 2a =s0-06
only were used. In the present tables,
distance values available in a variety of systems, but

the Tables of Interatomic Distances and original papers
for the sake of completeness, individual values of bond

distances of lower accuracy are quoted with limits of
error indicated where possible.
Values for tungsten
TABLE
Bond Distances
Group
in
treated with particular caution.
According to the statistical theory of errors, if an

average quantity /z and a standard deviation a can be
evaluated there is a 95 % probability that the true value
within the interval p.2a.
should, however, not be placed
The
present tables
list
the
on a values
reliance
in
bond-
most accurate bond-
should be consulted for further details.

Values are given in
and limits of error quoted in
units in the last place thus: 2-07 1 (=2-07 0-01).
4.2.1
A between Carbon and
Bond Type
Other Atoms
Atom
H*
1056-11 15
All types
II
III
IV
Be
Hg
1-93
2-07 1
B
1-56+1
Al
2-244
2-164
C*
Si
Ge
Sn
Pb
l-8658
1-84+1
l-983
2-1435
2-29 5
XH
H XH
Alkyl e.g. (CH 3

Aryl e.g. (C 6 5
Neg. subst. e.g.
3)
3)
(CH3XCI3)
1-881
N*
All types
Paraffinic
2-182
As
Sb
l-872
l-982
2-202 16
(CH 3) 3X
VII
O*
S*
Cr
Se
1-43-1-15
1-81-1-55
l-924
1-98-1-71
Br
l-7672
l-9373
2-13(5)l(0)
1-72+1
1-70+1
l-6354
1-89+1
1-85+1
2-092 5
F
(CH 3 X)
1-381
CI
+5
(monosubstituted)
Paraffinic
Bif
1-47-1-16
VI
Paraffinic
In
1-54-1 -20
All types
(CH 2X 2)
l-3444
(disubstituted)
01efinic(CH 2 :CHX)
Aromatic (C 6 H 5 X)
1-32(5)1(0)
1-301
Acetylenic(HC:CX)
VIII
Too much
lies
1-79(5) 1(0)
2-05l
l-992
Fe
Co
Ni
Pd
l-842
l-832
1-82+3
2-274
* See individual Tables 4.2.2-4.2.6.
275
t Error uncertain.
2.30
Te
Mo
2-0514 2-08 4
Wf
206
..
TABLE
TABLE
4.2.2
Carbon Bond Distances
Carbon
(in
Carbon
Bond
Single
3
1-54452 14
1-541
In diamond
1.
Single
of carbon
(CH 3) 2 C:CH 2
e.g.
ring, e.g.
2.
3.
4.
carbon
In
4 covalent nitrogen
8.
In compounds with tendency to

dipole formation, e.g. C:C.C-N
In graphite (at 15 C)
CH
1-395
1-373
1-4210
1-337
1.
Simple
2.
Partial triple bond, e.g.
CH
2 :C :CH 2
1-309
2.
e.g.
C 2H 2
Conjugated,
Bond
InR.CiN
1-158+ 2
e.g.
1-204
CH 3 .(C:C)
TABLE
1.
Bond
.H
1-206
..
Paraffinic
1-43
Strained, e.g. epoxides
1-47
1
1
3.
Shortened (partial double bond), as in

carboxylic acids or through influence of
aromatic ring, e.g. salicylic acid
1-36
1-23
1
1
1.
2
4
In aldehydes, ketones, carboxylic acids,

esters
3.
In zwitterion forms, e.g. DL-serine

Shortened (partial triple bond), as in
conjugated systems
4.
Partial triple bond, as in acyl halides
or isocyanates
4.
CH :CH
Aromatic in C H
Acetylenic, e.g. CH C.X
5.
In presence of a carbon triple-bond,
Olefinic, e.g.
e.g.
6.
CH
..
.CN
In small rings,
(CH 2) 2 S
l-2076
1-17
4.2.6
Carbon Sulphur Bond Distances (in A)

Single Bond
..
..
1. Paraffinic, e.g. CH 3 .SH
A)
1091
1101
1-073
1-070
1-07
1-084
1056
1-115
e.g.
1-26
(in
methane
monosubstituted carbon
(c) in disubstituted carbon
id) in trisubstituted carbon
3.
A)
1.
4.2.3
Hydrogen Bond Distances
(b) in
2.
(in
2.
Paraffinic
(a) in
4.2.5
TABLE
Carbon
l-322 3
..
Single
6
5
Bond
Simple,
HCO.NH 2
Carbon
2.
1.
l-352 5
Double Bond
Double Bond
Triple
C 5H 5N
1
1
3
1-44
carbon
HC
e.g.
TABLE
1-460
In aromatic compounds
In presence of two carbon
triple bonds, e.g.
C.C
NC=0,
e.g.
7.
1-516
1-49
6.
1.
(C0 2 H) 2
Shortened in presence of one
bond,
1-47510
1-42612
Shortened (partial double bond) in
Triple
CH .CiCH
5.
1-53
triple
C 6 H 5 .NH.CO.CH 3
heterocyclic systems, e.g.
C 6 H 5 .CH 3
carbon
CN=, e.g. CH N0
Shortened (partial double bond) in
double bond,
or of aromatic
Shortened in presence of a carbonoxygen double bond, e.g. CH 3 .CHO

Shortened in presence of two carbon oxygen double bonds, e.g.
carbon
l-479 5
l-472 5
covalent nitrogen
Aromatic in
in presence
A)
Bond
(a)
Partial Double
(in
Paraffinic:
(b) 3
Bond
bond shortened
4.2.4
Nitrogen Bond Distances
A)
Paraffinic
1.
TABLES OF BOND LENGTHS BETWEEN CARBON AND OTHER ELEMENTS
4.2.
Single
1-081
2.
3
+ 4
7
1
6
+ 3
3.
Lengthened in presence of fluorine,

e.g. (CF 3 ) 2 S
Shortened (partial double bond), as in
..
heterocyclic systems, e.g. C 4 H 4 S
1-81(5)1
1-83(5)1
1-73
1-71
Double Bond
4
7
1.
In ethylene thiourea
2.
Shortened (partial triple bond) in presence of second carbon double bond,

e.g.
276
COS
1558 3
Interatomic Distances in Metallic Crystals
4.3.
ordered structure
The majority of the metallic elements crystallize in

one or more of the three typical metallic structures, the
body-centred cubic and closepacked hexagonal structures. In these the interatomic
distances can be calculated to an accuracy equivalent
to that with which the lattice spacings are known.
Complicated structures are formed by a- and j8-manganese, gallium and a- and /J-uranium, and some of
the other actinide elements, and for these metals the
face-centred cubic,
known accurately, but the parameters which determine the atomic positions are subject to much greater uncertainty, and the interatomic
distances are therefore only known to about 1 %. The
same uncertainty applies to the interatomic distances
in some of the more complicated structures of the
metalloid elements. The interatomic distances are
listed for the metallic elements in Table 4.3.*
When a metal B forms a substitutional solid solution
with a solvent metal A, the resulting alloy when
annealed to equilibrium (i.e. when of uniform composition) gives rise to sharp X-ray diffraction lines or
spots, and from these a mean lattice spacing can be
calculated which is in good agreement with the
measured density of the alloy. This, however, does not
imply that the structure has been uniformly expanded
or contracted by the presence of the solute atoms. In
a dilute solid solution each solute atom is a centre of
distortion of the solvent structure, and is surrounded by
abnormal interatomic distances. In more concentrated solid solutions the whole array of interatomic
is
irregular.
These
scattering
on X-ray
variations, notably
by
background
effects are revealed
variations in the density of the general

diffraction films.
by Warren
et
that considerable variations exist
A study of these
ah
distances
in alloy systems are
in
which the composition
is
almost
writers use the term "intermetallic
to denote the latter class.
The data
selected are taken
fixed,
and
compound"
In a few cases where an
from
[7]
[9]
rough
series
M. Goldschmidt
and 12 % occur
of atomic
radii.
It
was shown by
that contractions of roughly 3
an atom changes from a structure of

co-ordination number 12 to those with co-ordination
numbers 8 and 4 respectively. In this way, some
generalization of interatomic distances can be
achieved for a limited number of alloys.
In the line of approach adopted by Pauling, the
metallic bond is regarded as an unsaturated resonating
covalent bond, and the equation
if
R(\) -R{n) = 0-300 log n
and history of which are discussed

by Hume-Rothery and Coles [6]) is given to
connect the single bond atomic radius R{\), with the
apparent radius R{ri) in a structure where v single
bonds resonate among N positions, and n=v/N. The
(the derivation
fully
In some intermediate alloy phases (e.g. compounds

of aluminium with transition metals) the interatomic
distances are quite different from those given by the
normal atomic radii, and for this reason no attempt is
made here to give tables of atomic radii. For information or reference to work on binary alloys the reader
should consult Hansen [5] or Pearson [9]. The latter
also gives information on ternary alloys.
often of widely varying compositions and may have

ordered or disordered structures. Many cases are
some
give a
V.
the Pauling theory) in different crystals than to predict

or generalize interatomic distances in alloy crystals.
solutions.
known
distances in the crystals of the elements can be used to
been disputed, but

where the valencies are fixed it gives contractions of
the same order as those of Goldschmidt. The equation
has been used more to deduce the bond-numbers (of
between closest neighbours in solid solutions. Unfortunately, in spite of much skilled work, the quantitative results are not yet sufficiently precise to give any
exact information about interatomic distances in solid
The intermediate phases formed
complicated, and even when the composition is fixed

the interatomic distances are seldom known to an
accuracy greater than 05 per cent.
The study of interatomic distances in the crystals of
intermediate alloy phases shows that, in general, these
cannot be accounted for by any simple set of atomic
radii. With elements of fixed valencies the interatomic
justification for this equation has
[12], indicates
among the
such that the positions of the
the phase is of variable composition, difficulties arise

similar to those for the solid solutions described above.
The structures of many intermediate phases are very
lattice constants are
distances
is
atoms are known, the interatomic distances can be

calculated accurately from the lattice spacings, but if
and from others named
277
in the
References to Section 2.1.4.
CO
03
4->
03
03
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CO
CO
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INTERATOMIC DISTANCES IN METALLIC CRYSTALS
4.3.
a
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4.3.
[1]
Barrett, C.
Acta Metallurgy
References
1959;
[7]
E., Rosenbaum, D. M., and Gonser,

Less-Common Metals, 1, 185, 1959.
[8]
S.
7,
810,
Australian J. Physics, 13, 209, 1960.

[2]
Campbell,
B.
W.
I.
/.
[3]
Cfflarn, P., Klepfer, H. H., and White, R.

Trans. Amer. Soc. Metals, 51, 772, 1959.
[4]
Covington, E.
J.,
and Montgomery, D.
J.
J.
J. Phys. Chem. Solids, 11, 177, 1959.

(See also references, Section 2.1.4.)
[9] Pearson, W. B. A Handbook of Lattice Spacings and
Structures of Metals and Alloys (Pergamon Press,
R. O. A.
W.
chem.
London,
Phys., 27, 1030, 1957.

[5]
Hume-Rothery, W., and Raynor, G. V. The Structure of Metals and Alloys (The Institute of Metals,
London, 1954).
Lee, J. A., Mardon, P. G., Pearce, J. H., and Hall,
1958).
[11]
Carlson, O. N., and Vest, R. W.

Soc, 103, 409, 1956.
Sturcken, E. F., and Post, B. Acta Cryst., 13, 852,
[12]
Warren, B.
[10]
Smith,
J.
F.,
J. Electrochem.
Hansen, M.
The Constitution of Binary Alloys

1960.
[6]
HuME-RoTHERY, W., and Coles, B. R.
Advanc.
Physics, 3, 149, 1954.
J.
285
E., Averbach, B. L., and Roberts, B.

Appl. Phys., 22, 1493, 1951.
W.
Section 5
TEXTURE AND LINE-BROADENING

ANALYSIS.
SMALL-ANGLE SCATTERING
PAGE
5.1.
Determination of the Texture of Polycrystalline Materials (A.

with C. H. MacGillavry)
5.2.
Particle Sizes and their Statistics from Debye-Scherrer Lines
5.3.
Small-angle Scattering (A. Guinier)
E. de Barr,
(E.
289
Bertaut)
318
324
5.1.
Symbols used
a
j8
Determination of the Texture of Polycrystalline Materials
in the text
5.1.1. Introduction
angle between reflecting plane and normal to the reference plane in the
specimen.
angle between the rolling direction
and the normal to the diffractometer
circle or equivalent reference direction.
RD
angle between the incident beam and the

normal to the reference plane in the
specimen.
angle between the reflected beam and

the normal to the reference plane in the
S2
azimuth on
reflection circle, usually with
respect to the projection of
RD
or the
fibre axis,
e
angle between fibre axis and incident
beam.
on the reference sphere.

radius of a small circle on the reference
sphere.
latitude
y\
t]
Bragg angle.
wavelength.
fi.
o-j
angle between the fibre axis or other

reference direction and the normal to the
angle of
tilt
of sheet specimen about the
specimen with the plane of the diffractometer circle (see Fig. 5.1.2(18)).
azimuth on reflection circle used in
counter methods measured as shown in
;
Figs. 5.1.11(1)
if/
B, D,
dhia
(Mel)
and
5.1.11(2).
longitude on reference sphere.

correction factors for various cases.
spacing of (hkl) planes.
Miller indices of reflecting plane.
fit/2
cos y.
scaling constant in reciprocal space.
distance
moving-film camera.
cos y/cos y
traversed
by
the
film
in
radius of Debye-Scherrer ring.
radius of reference sphere.
from
RD
and one direction

some direction in the
sheet. Such textures are described by specifying the
crystal plane lying parallel to the plane of the sheet and
parallel to the plane of the sheet,
the crystal direction parallel to a reference direction in

the sheet, together with the nature of the deviations
from
this
ideal
texture.
The
reference
directions
usually chosen in sheet material are the direction in
which the material was rolled (RD) and the direction

in the sheet normal to the rolling direction (CD). Thus
under certain conditions the crystallites in sheets of
many face-centred cubic metals have a (100) plane
parallel or nearly parallel to the plane of the sheet, and
an [001] direction parallel to some direction in the
ideal
may be considerable.
Pole Density and Pole Figure
Description in terms of ideal orientations can be

only approximate. Ideally a description of a texture
should specify the orientation of each crystallite in the
specimen, and it is convenient to use some form of
projection on which to represent the data. If all the
poles of a form for every crystal of a polycrystalline
aggregate are plotted on the same projection then,
diffraction spot to equa-
thickness of specimen.
indices of direction of fibre axis.
rolling direction, reference direction in
the reference plane.
CD
The simplest type of sheet texture* is one in which all

the crystallites have one plane parallel or nearly
5.1.1.2.
tor of cylindrical film.

[uvw]
In materials with a fibre texture* all the crystallites

parallel or nearly parallel to some principal direction in the specimen. The ideal texture can be
completely described by specifying the crystallographic
direction or directions parallel to this fibre axis. Thus
wires of body-centred cubic metals have a [1 10] texture
all the crystallites have a [110] direction nearly parallel
to the axis of the wire. Wires of face-centred cubic
metals have a double fibre texture: the crystallites
have either [111] or [100] parallel to the axis of the
have one axis
and the deviations from the
distance
Definitions
sheet: a (100) [001] texture. In the more general sheet

texture there may be more than one ideal orientation
radius of cylindrical film.
rx
general use) are described in detail, the other methods

being only briefly mentioned.
parallel or nearly parallel to
intersection of the reference plane in the
<f>
of selected physical properties, are also available. In

X-ray methods (which are the ones in
this article the
wire.
linear absorption coefficient.

tan _1j//-=arc tan s\r
reflecting planes.
a,
direct determination of the texture of poly-
methods are used, although the former are applicable

only in special circumstances. Indirect methods [1], by
which less complete and less unique information about
the texture is obtained from the measured anisotropy
5.1.1.1.
specimen.
8, Sj,
For the
crystalline materials, morphological or X-ray diffraction
Warning must be given
fibre texture,
cross direction.
above
289
[21].
nor
that wires
sheet-like specimens
do not necessarily have a

a sheet texture as defined
5.1.
DETERMINATION OF THE TEXTURE OF POLYCRYSTALLINE MATERIALS
instead of the single, isolated poles of the projection

of a single crystal, each point of the resulting diagram
is characterized by a pole density
the density of poles
per unit solid angle around that point. Such diagrams
as usually made show only the density of the poles, by,
for example, the use of contour lines of equal pole
density or by shading. Pole maps of this kind are the
usual way of describing the texture of sheet materials,
and are equally applicable to other textures.* The

stereographic projection is the one commonly used in
texture studies and a pole-density map plotted on this
known as a pole figure. Pole figures were

described by Wever [27], and have since been
projection
first
is
sing not only the ideal orientation but also the deviations
is
the
from the ideal. The construction of a pole figure

most widely used procedure for this purpose.
(b) Geometrical Relation
between Pole Figure and
Diffraction Effect
Consider a fine parallel beam of monochromatic

X-radiation incident upon a polycrystalline specimen,
and consider the

particular form.
reflecting
beam.
make
diffracted rays
from planes of one
The normals
to all planes capable of

an angle of (90-0) with the incident
In Fig. 5.1.2(1),
MRO
is
the incident X-ray
extensively used [2] [13] [14] [16]. Much of the description in this section will refer to the stereographic
projection [24]. With appropriate modifications it is,
however,
methods.
5.1.2.
equally
applicable
to
other
projection
Experimental Determination of Texture by X-ray
Methods
(a)
General Considerations
In orientation problems the unit-cell dimensions of

the crystals are usually known and the problem is
simply one of the way in which the crystals are
arranged.
The simplest problem of texture determination is

the determination of the orientation of a single crystal
Fig.
beam
The
relation
is
at O.
ON
is
the
(/.NOR =9O-0) and
the stereographic projec-
N of the reflecting plane, on a reference
plane in the sample and initially perpendicular to the

incident beam. On such a stereographic projection the
poles of all planes capable of reflecting must lie on a
circle, the reflection circle UPVU, (90-0) (stereo-
from the incident beam.

The incident beam, the diffracted ray and the pole of
the reflecting plane all lie in the same plane (Fig.
graphic)
spots are
azimuthal angle of the diffracted

equal to the azimuthal angle of the pole of the
reflecting plane around the reflection circle. The cone
of diffracted rays will intersect a suitably placed photographic film in a certain curve, and points on this curve
will have a one-to-one correspondence with points on
the reflection circle. Thus when
is known and the
azimuthal angle of a diffracted ray is measured, the
position of the pole of the reflecting plane can be
determined and plotted on the stereographic projection.
These relationships form the basis of all X-ray methods
5.1.2(1)) so that the
ray, S,
way and
known.
reflecting plane
OQ is the reflected ray.
so the indices of the Laue

then possible to calculate
the position of a principal axis in the crystal with
respect to the reference plane and direction.
Polycrystalline specimens in which the deviations
from the ideal orientation are small can sometimes be
investigated by the methods used for single crystals.
The oscillating crystal photograph will be made up
of streaks rather than spots. These may be indexed
and the ideal orientation of the reciprocal lattice found
with respect to the reference plane and direction.
When the spread of orientation in the specimen is
appreciable, these single-crystal methods can no longer
be used and it is necessary to have some way of expresreflections are
circle.
OQ and the stereographic
upon the specimen
tion of the pole
then joined by streaks to the spot produced by reflection of the characteristic radiation from the same
planes. The characteristic reflections can readily be
indexed in the usual
falling
normal to a
Some of the Laue
reflection
ON to the reflecting plane.
with respect to some reference plane and direction.

For this purpose the Laue method may be used, the
symmetry of the Laue photograph being very sensitive
to changes in orientation of the crystal with respect to
the incident beam and photographic plate.
commonly used procedure is to combine a Laue and
an oscillating-crystal photograph. The experimental
arrangement is as for an oscillating-crystal photograph,
exposures being made using both characteristic and
white radiation, with the specimen oscillating through
a small angle about the reference position and also
stationary in this position.
The
5.1.2(1).
between the diffracted beam

projection P of the normal
It is
is
of texture determination.
* The use of pole-density maps, although often unavoidable,
does involve some ambiguity, since it is not possible to determine
uniquely the positions of the poles of the remaining planes of the
form in any one crystal, given the pole of one plane.
290
5.1.
The construction of pole
figures
may
plained in terms of the reciprocal lattice.
also be ex-
The reciprocal-
points of type hkl corresponding to all the crysthe specimen all lie on a sphere of radius inversely
proportional to the spacing of the (hkl) planes. In
lattice
tals in
a section of this sphere of radius Kldhia

is shown. The incident X-ray beam is
directed along XS. A sphere of radius K/X and passing
through S will intersect the sphere on which the
Fig. 5.1.2(2)
and centre S
reciprocal lattice points
lie,
in a circle
FG. Then
ZFOS=20 and ZFSH=0.

x
pole figure of Fig. 5.1.2(3). With an X-ray beam

incident normal to the reference plane, the only (hkl)
planes in reflecting positions are those lying on the
reflection circle shown. The azimuthal distribution of
diffracted rays is therefore determined by the intersection of the reflection circle with the occupied
regions of the pole figure. Conversely, the distribution
of pole density around the reflection circle can be

deduced from the intensity distribution of the diffracted rays. If the cone of diffracted rays is allowed to
intersect a flat photographic film, the resultant photograph will consist of discrete arcs separated by blank
portions corresponding to the unoccupied region of
the pole figure (Fig. 5.1.2(4)). After correction for
absorption the intensity of the diffracted X-ray beam
is proportional to the pole density at the corresponding
part of the pole figure.
RD
CD
Fig. 5.1.2(2).
The
reciprocal lattice.
FG corresponds
to the reflection circle for poles hkl, with incident
RD
beam OS.
The reciprocal-lattice points on their sphere correspond to the poles on the surface of the reference
sphere, and the circle FG to the reflection circle as
described above. Just as there is a diffracted ray corresponding to each intersection of the reflection circle
and the pole of (hkl), so to each reciprocal-lattice
point on the circle
there corresponds a diffracted
ray. In stereographic projection on to the plane HSJ,
the reciprocal-lattice points and the circle FG coincide
with the pole figure and reflection circle.
It should be clear that the smaller the value of 6 (the
shorter the wavelength of the incident X-ray beam)
the larger is the region of the pole figure registered for
any one position of the specimen. Large values of 6
(back reflections) are not, in general, suitable for polefigure investigations, and values of 9 around 10 are
usually convenient.
FG
5.1.2.1.
(4)
Fig. 5.1.2(3).
The
reflection circle
Fig. 5.1.2(4). Flat-film
and the pole
X-ray diffraction diagram cor-
responding to the pole figure and reflection
shown
figure.
circle
in Fig. 5.1.2(3).
By varying the angle of incidence of the X-ray beam,

the reflection circle can be made to intersect other
regions of the pole figure so that, by recording the
distribution of diffracted rays at various angles of
incidence of the X-ray beam, the relative pole density
at every point of the pole figure may be obtained.
Film Methods
Specimen Stationary during Exposure
5.1.2.1.1.
A. Sheet Textures
Consider now a polycrystalline specimen in which
the distribution of (hkl) planes is represented by the
The number of exposures necessary depends upon

and on the precision
the complexity of the pole figure
291
5.1.
required; but
the
first
normal
is
usually between four
exposure
to
is
from
and
it.
made with
and twenty. If
beam
circle
the incident
circle
of azimuthal angle 8 is the projection of a small

of co-latitude p where
the reference plane in the specimen, the
reflection circle will

circle,
degrees
in stereographic projection
If the radius
of the reflection
(R cos
(Appendix
cos /o=cos 9 cos 8
be concentric with the primitive

of the primitive
circle is
away
This locus is a circle of radius

tan p with its centre
displaced from the centre of the projection by a
distance R sec p. The loci of points on the reflection
R, that
circle in this position is

0)/(l
sin
(1)
azimuthal angles of 0,
be constructed.
circle at
6)=R tan K90- 0)
10, 20. etc.,
can thus
5.1.1).
The relative pole densities deduced from the blackening of the film can be plotted directly on to this circle.
R tan (cos-
A second exposure is then made after rotation of the
R sec (cos
specimen, through say y, about an axis in the reference

plane and parallel to, say, the rolling direction (RD).
Relative pole densities are first plotted on the reflection
circle for the first exposure and at azimuthal positions
corresponding to the positions of the diffracted rays.
Each point on the reflection circle is then rotated along
the corresponding latitude line through y, using a
Wulff net (Fig. 5.1.2(5)). Part of the reflection circle
may pass into the opposite hemisphere (shown with a
heavy broken line in the figure) and data corresponding
to this portion of the reflection circle should be transferred to the diametrically opposite quadrant of the
pole figure (see Fig. 5.1.2(7) and below).
-1
(cos 6 cos S))
(cos 8 cos S))
RD
Fig. 5.1.2(6).
loci
of constant y (reflection
The
X-ray diffraction data plotted on to a

locus of constant 8. Dashed curves
ABC
pole figure.
+ sin
circles).
reflection circle corresponding to
a rotation y
(y<9) from the position of normal incidence is a circle of radius (R cos 9) /(cos y+sin 0) with
its centre displaced from the centre of the pole figure
by a distance (R sin y)/( cos y+sin 0) (see Appendix
around
5.1.1
RD
and
Fig. 5.1.2(6)).
When y>9,
part of the reflection circle passes into

the other hemisphere of the reference sphere. These
portions of the reflection circle, projected through the
opposite pole of the reference sphere, are shown in
heavy broken
x.
various angles of incidence. Such charts

structed, for any given value of 0, either
may
P x and P 2
[2]
are in reflecting positions
are plotted at
of the
be con-
figure).
and these poles
p x and p 2 in the pole figure (lower part

At y=40 planes with poles at P/ and
P/ are plotted
P 2 is usually plotted at p 2 Strictly, however,
since P 2 does not lie on the same hemisphere as Px
P/ and P 2 the poles at P 2 should be plotted as though
This
they were at P 2 ", i.e. at p 2 " where Op 2 "=Op 2
P2
by using the
by geometrical construction
cribed below (see also Appendix 5.1.1).
net, or
(see
is
This procedure may be simplified by the use of

charts showing the position of the reflection circle for
Wulff
They are
charts.
the normal to the reference plane. When the specimen rotates around RD, the incident beam rotates in
the plane of the figure. At y=0, planes with poles at
Fig. 5.1.2(5). Rotation of reflection circle as specimen
RD through an angle y
on the
5.1.1) circles
OM
RD
rotates about
lines
of radius (R cos 0)/(cos y sin 0)

with centres displaced from the centre of the pole
figure by a distance (-R siny)/(cosy-sin 0).
Fig.
5.1.2(7) shows the situation in a section through the
reference sphere, perpendicular to the axis RD.
Appendix
'
are in reflecting positions. Poles at
at pj';
as des-
'.
'
'
'
'.
Construction of Reflection Circle for Incident Beam at

Angle y with the Normal to the Reference Plane
is
not necessary
if
symmetry about an
specimen is rotated around the axis RD in

Fig. 5.1.2(6), then the locus of a point on the reflection
the pole figure possesses twofold

axis normal to the projection. In
constructing pole figures of rolled sheet and similar

materials, such symmetry is usually assumed, although
If the
292
5.1.
often without justification. By making this assumption

it is sometimes possible to reduce the number of
exposures required for complete coverage of the pole
figure.
Fig. 5.1.2(8).
Fig. 5.1.2(7).
For y>0, part of the
reflection circle
specimen normal to the incident beam; different values

of 9 then correspond to reflection circles of different
radii which are all concentric with the primitive circle.
All the exposures may be recorded on the same film if
the specimen-to-film distance for each value of 9 is
one value of
is
shown
9,
0=10.
of values of y are described in section 5.1.2.1.2 {Texture

Mapping). Here we will mention three ways in which
the amount of information recorded on one film can be
increased, without changing y.
(a) Reflections from the same type of planes at
different values of 9 can be obtained by using radiations of different wavelengths. Since the radius of the
reflection circle depends upon the value of 9 the reflection circle then covers different parts of the pole figure.
It is difficult to obtain a large enough range of wavelengths to vary 9 sufficiently to enable the whole pole
figure to be investigated in this way, but the technique
is sometimes useful for the accurate examination of
limited regions of the pole figure. It is most conveniently applied by setting the reference plane in the
passes into the opposite hemisphere of the reference

sphere. Above Section through reference sphere perpendicular to axis of rotation. ZJPiOP^ /J> 2 OT> 2 =y.
Below: Stereographic projection on to the reference
plane.
complete pole figure chart, for

intervals of 10 for 8 or <f> and y
Pole-figure chart.
chosen to be proportional to tan (9O-0)/(tan 20) and

a screen is used to prevent unwanted diffracted rays
from reaching the film. The diffracted rays for each
value of 9 will then register on the film in the correct
position for the corresponding reflection circles, and
the film will represent a portion of the desired pole
at
in Fig.
5.1.2(8). This same chart may be used for rotation of

the specimen about any other direction in the reference
plane by rotating the chart, in its own plane, with
respect to the projection.
Information about the central regions of a pole
figure.
(b) A second method, unsuitable for quantitative

work, also makes use of X-rays of more than one
wavelength. When using an incident X-ray beam con-
figure plotted with the plane of the sheet as the

reference plane can be obtained only by setting the
beam to make an angle of about 9 with

the plane of the sheet and measuring the "reflected"
portion of the diffracted cone. Conversely, information about the peripheral regions of the pole figure is
incident X-ray
taining "white" radiation in addition to the characteristic radiation, the region of the photographic film
around the position of the undeflected beam records

the short-wavelength continuous X-ray spectrum reflected by the various sets of planes. It is usually not
difficult to decide which part of the record is produced
by rays reflected from the planes whose poles are to be
plotted and, by noting the azimuthal distribution of
these reflections, additional data for plotting on the
obtained from rays transmitted through the sheet.
Amount of Information on One Film

The need to combine on one chart the data obtained
at a number of values of y makes the construction of
pole figures somewhat laborious. Techniques for combining on one film the data corresponding to a range
Increased
pole figure are available.
293
5.1.

provide data for the complete specification of the
(c) In using a characteristic radiation of a short

wavelength several Debye-Scherrer rings can be registered on the same photographic film, and techniques
for utilizing the additional data thus recorded have
been developed [9].
For quantitative correlation the
intensities,
texture (Fig. 5.1.2(9)).
after
correction for absorption, have to be scaled for differences in

(1)
Variation of intensity with wavelength in the pri-
mary beam and of film emulsion sensitivity with

wavelength: method (a).
(2)
Times of exposure and specimen-to-film distances

method (a).
(3)
Lorentz-polarization factor: methods (a) and
(4) Structure factor:
method
(c).
(c).
circle.
(a)
Fibre-texture pole figure and reflection

Fibre axis at angle 90 9 to the incident beam.
Fig. 5.1.2(9).
B. Fibre Textures
Determination of Fibre Texture by Indexing the
Layer Lines
If the fibre axis
is
well defined
Specification of the Crystallographic Direction or
and its direction in the
specimen is known at least approximately, it may be

found from a "rotating-crystal" photograph with the
fibre axis in the specimen along the axis of the cylindrical camera. If desired, the specimen may be rotated
about its axis during the exposure, but this is not
usually necessary.? The fibre axis may be determined
from the general rule that reflections on the wth
layer line have indices hkl that satisfy the equation
hu+kv+lw=n, where [uvw] are the indices of the fibre
axis.
If the fibre axis is not well defined, the spots

rotation photograph are drawn out into arcs.
on the
Directions Parallel to the Fibre Axis
Consider
first
a pole figure projected on to a plane
parallel to the fibre axis. If, for example, all the crystallites
have a
(HO
ax* s parallel to the
fibre axis, the
{100} pole figure would be as in Fig. 5.1.2(10). Reflection could occur only at azimuthal angles S (measured
from the projection of the fibre axis on to the film)

determined by the intersection of the reflection circle
and the occupied regions of the pole figure.
With the incident X-ray beam perpendicular to the
fibre axis, as in Fig. 5.1.2(10),
A mean
cos />=cos 6 cos 8
corresponding to the centres of the arcs, can

be determined and it is possible to determine the
degree of spread from the length of the arcs.
8=S 1 =S 2
fibre axis,
where p
is
the angle between
the fibre axis
.(2)
and the
reflecting poles.
Fibre axis
Determination of Fibre Texture from the Pole

Figure
(b)
For a material with an ideal fibre texture, a pole

on to the plane perpendicular to the
fibre axis has circular symmetry. With the incident
beam parallel to the fibre axis the reflection circle is
concentric with the primitive circle and coincides with
a contour line of the pole figure. The Debye-Scherrer
ring on a diffraction photograph taken under these
conditions should be of uniform intensity around its
circumference. However, unless 6 for the diffracting
figure projected
planes
is
approximately equal to the angle these planes

the fibre axis, there can be no diffracted
make with
Even if this condition is fulfilled it is possible

only to determine the ideal fibre axis from such a
photograph; no information about the spread of the
fibre axis would be available. However, by allowing
the X-ray beam to be incident normal, or nearly normal, to the fibre axis, the reflection circle can be made
rays.
to cross all the contours of the pole figure
Fig. 5.1.2(10). Ideal {100} pole figure for a wire of a

metal with cubic crystals and a [111] fibre texture.
Fibre axis perpendicular to the incident beam.
* In textures other than those of the real fibre type, rotation
of the specimen during exposure may conceal an existing pre-
and thus to
ferred orientation
294
[3].
5.1.

is
no unique
fibre-axis direction
but rather an area on
the pole figure within which all the fibre axes lie. If
quantitative information about the distribution of the
fibre axes within this area is required, it will be
necessary to determine the intensities of the rays
Fibre axis
diffracted to each part of the Debye-Scherrer ring just
as for sheet textures etc.
Determination of Azimuthal Angles 8
Fig. 5.1.2(11).
Same
texture as in Fig. 5.1.2(10). Fibre
axis inclined at to the incident
On a flat film perpendicular to the incident beam the

azimuth can be read directly along the Debye circle.
A cylindrical film with the incident beam perpendicular to the cylinder axis is used when one wants to
record over a greater 8 range. Then, if s is the distance
of a diffraction spot from the equator of the cylindrical
film and r is the radius of the camera, 8 may be determined as follows
beam.
(i)
More
when
generally,
the fibre axis
is
inclined so
cos
makes an angle e with the incident beam, the

reflections are no longer symmetrically distributed,
and the azimuthal angles of the reflected rays are
that
Fibre axis parallel to cylinder axis (Fig. 5.1.2(1 3a))
8=
(ii)
cos
p- cos
sin
8=
sin v
sin 28
..(3)
where tan v=s/r.
sin e cos 9
co s p-cos (180-e) sin 9

(4)
sin
From
3b)):
sin 8
cos
cos S 2 =
Fibre axis perpendicular to cylinder axis (Fig.

5. 1.2(1
given by (Fig. 5.1.2(11))

~
sin v
sin 28
it
(180- e) cos 8
the azimuthal angles, 8 X , S 2
of the spots on
the appropriate Debye-Scherrer rings, p may be calculated for each of several reflecting planes. Using
the stereographic projection (Fig. 5.1.2(12)), that point
which is at the appropriate angle from the pole of each
(13a)
can be found. Such a point is the proand may, by reference to a

standard stereographic projection, be identified with
reflecting plane
jection of the fibre axis
some
particular crystallographic direction.
Some
made up of two or more discrete

superimposed, and in these cases there
more than one value for each p hkl In others there
textures are
fibre textures
is
if
(13b)
Determination of azimuth 8 from

Fig. 5.1.2(13).
measurements on film from a cylindrical camera,
(a) Fibre axis parallel to camera axis, (b) Fibre axis
perpendicular to camera axis.
(c)
Determination
of Fibre
Axis from
Meridional
Reflections of Cubic Crystals
For cubic crystals, using short-wavelength X-rays,

a useful indication of the probable fibre axis may often
be obtained, without any plotting, by noting the
intensity maxima lying on the projection of the specimen itself on the film. If the axis [hkl] in each grain is
Fig. 5.1.2(12). Determination of fibre axis on a standard stereographic projection of a cubic crystal.
295
5.1.
along the specimen axis then planes of the form {hkl}

If, however, the [hkl] fibre
are normal to that axis.

axes in the grains deviate
specimen-axis direction,
by as much as 6 hkl from the

some (hkl) planes will be in a
reflecting position.
In a similar way, if the [hkl] fibre axes are all

nearly parallel to the specimen axis and that axis is
tilted 6 hkl
towards the
film, there will
be a very strong
hkl reflection in a meridional position.
5.1.2.1.2. Specimen Moving during Exposure

Texture Mapping: General Considerations
The chief disadvantage of the pole figure, particuwhen plotted from data recorded photographi-
larly
labour required to construct it. Procedures

have been considered to record directly on to film a
pole-density map which is easily interpreted.
The cone of diffracted rays from a specimen will
intersect a photographic film in a certain curve: points
on this curve have a one-to-one correspondence with
points on the reflection circle. If the specimen is now
cally, is the
Fig. 5.1.2(14).
Experimental arrangement for texture
mapping. Flat
film.
ments
is
length
L cm
such that the film moves through its whole

while the specimen rotates through 180.
The direction of motion of film and specimen are then
rotated and the film traversed, this curve will move

over the surface of the film and the reflections will be
reversed.
recorded at different points on the film according to

the instant at which they occur. The area scanned by
the curve on the film will then form a map of the area
on the reference sphere scanned by the reflection
circle. In general the resulting pole-density map is very
If the specimen-to-film distance is (L cos 6 cot 29)/tt,

can be shown that the resultant map is a true equalarea projection of the pole distribution on the surface
of the reference sphere and therefore gives a correct
representation of the distribution of pole density.
(b) Cylindrical film arranged with its axis coincident
with the X-ray beam, translating parallel to its axis
[28]. The arrangement is shown in Fig. 5.1.2(15). A
cylindrical screen, fixed with respect to the incident
X-ray beam, allows only rays diffracted at the chosen
value of 6 to reach the film.
The coupling between specimen and film movements
is such that the film moves through its whole length
while the specimen rotates through 180. If r is the
radius of the cylindrical film then, in order that the
length on the film corresponding to 1 of latitude at
the equator of the reference sphere shall be equal to
it
and it is necessary to use a grid of strongly

curved co-ordinate lines to read it. However, by suitable geometrical arrangement of film and specimen it
is possible to minimize this distortion.
An undistorted pole figure can be directly recorded
only on film shaped so as to fit on to the surface of a
sphere. In practical arrangements, flat or cylindrical
films are used. Several arrangements have been suggested but only two have been adopted at all extensively. In both these, the specimen is rotated about
one axis only so that certain regions of the reference
sphere are not scanned by the reflection circle. The
rotation axis is in both cases normal to the X-ray
distorted
beam.
The two methods
are
film normal to the incident X-ray beam

translating in its own plane along a direction normal
to the axis of rotation of the specimen [15] [17].
(a) Flat
The arrangement
is
shown
in
Fig.
screen, fixed with respect to the incident
5.1.2(14).
beam,
may be
necessary to prevent rays diffracted in directions other

than those corresponding to the chosen value of 8
from reaching the film. Further, to avoid overlapping,
it is necessary to allow not more than half of the diffracted rays to reach the film. In practice, to avoid
highly distorted regions of the map, only rays of
latitude less than 60 are used, thus reducing the
coverage of the reference sphere.
The coupling between specimen and
film
Fig. 5.1.2(15). Experimental arrangement for texture

mapping. Cylindrical film.
move296
5.1.
that of 1 of longitude, the distance
moved by
the film,
per 1 rotation of the specimen, should be r sec
5.1.2.2.
0.
Counter Methods
Counter-diffractometer
techniques are
especially
suitable for quantitative pole-figure determinations.
In the usual type of X-ray diffractometer the detector

(Geiger counter, proportional counter, etc.) is set to
receive radiation diffracted at the appropriate value of
20 and records, at any instant, radiation diffracted at
one azimuthal angle only. If, for example, the incident
X-ray beam is normal to the reference plane in the
sample and the reference direction (RD) in this plane
is normal to the plane of the diffractometer circle,
then the count rate recorded will be proportional to
the density of poles around a point of intersection of
the whole pole figure may be explored along successive

diameters (Fig. 5.1.2(17)). Alternatively the specimen
may be rotated about the axis normal to the reference
plane for each successive position of rotation about
the other axis, i.e. for each value of y. In this way the
pole figure
is
covered in a series of concentric
circles.
For either method of plotting, a polar net is required.

For continuous automatic recording, y and j3 may be
varied simultaneously so that the pole density along a
spiral track covering the whole pole figure can be
recorded.
An automatic plotting apparatus has been described

[12].
To
method
is
cover the whole pole figure, the counter

used both in transmission and in reflection
[10].
The observed counting

and
rates
must be corrected for
of specimen irraThese corrections vary with 6 and y but are

independent of j8. Formulae and tables relating to
absorption
CD
with the reflection circle Fig. 5.1.2(16). As the

specimen is rotated about an axis normal to the plane
of the diffractometer circle the count rate will vary in
accordance with the pole density along the diameter
CD of the pole figure. By rotating the specimen
through an angle )3 about an axis normal to the
reference plane, and then rotating again about the
axis normal to the diffractometer circle, the pole
density along another diameter can be plotted. Thus
variation in volume
diated.
this are given in
Appendix
5.1. II
and
in Vol. II, Sec-
In addition the recorded intensities may

be in error, as with other diffractometer observations
[11], due to (a) the width of the source, (b) defocusing
due to the use of a flat rather than a curved specimen,
(c) vertical divergence of the incident beam. In practice these effects are unlikely to be important except
perhaps for very weakly absorbing materials and small
values of 0. The magnitude of these errors and also of
the necessary absorption corrections depends upon
the widths and dispositions of limiting slits at source
tion 5.3.8.
or counter.
In a modification of the ordinary transmission
method [22] a divergent X-ray beam is used together
with a narrow entrance slit at the counter. Over a
useful range of values of y no absorption corrections
are needed with this arrangement. See Appendix 5.1 II.
Another method [18] of avoiding the use of absorption corrections is to cut from the sheet specimen
small cylindrical rods with axes in the plane of the
.
and making angles 0, 10, 20, etc., with, say,

Each rod in turn is mounted in
the diffractometer and rotated about its axis, the count
sheet
the rolling direction.
rate being recorded as a function of the angle of
Since the geometrical arrangement remains

constant throughout, no absorption corrections are
necessary. If the rods are of the same size, results from
different rods are directly comparable. This can be
checked by measuring the intensity corresponding to
the centre of the pole figure, which should be the same
for each sample.
To avoid corrections when the reflection method is
used, Schulz [22] makes use of an X-ray beam which
is divergent in the plane of the diffractometer, and an
arrangement such that the absorption and scattering
volume remain constant over a considerable range of
rotation.
Fig. 5.1.2(16). Pole-figure investigation using counter
diffractometer. Rotation
around RD.
specimen positions. A sheet specimen, sufficiently

absorb the incident beam completely, is
rotated about an axis normal to the plane of the sheet
Fig. 5.1.2(17). Rotation around an axis in the sheet,

making an angle /? with RD.
thick to
297
5.1.

making
for the planes to be investigated as small as

possible (see 5.1.2). On the other hand, the diffraction
of short-wavelength X-radiation is small so that

keep exposure times short an incident
beam of large diameter (0-5-1
say) must be used,
even perhaps with intensifying screens. Loss of definition is inevitable.
value of d~ 10 would be best for
most metal specimens; MoKa. radiation is a suitable
compromise, but radiation of a longer wavelength is
effect
in order to
mm
Fig. 5.1.2(18). Counter-diffractometer reflection tech-
nique due to Schulz.
For a> 60, no absorption
corrections are necessary.
often used.
and
at one setting of the specimen are

from planes with poles in a small region
around one point of the pole figure, the effect of
increasing 6 is to reduce the resolution by increasing
the area of the reference sphere over which the pole
density is averaged, and to increase the range of
Since, with a counter diffractometer, the diffracted
rays received
also tilted about
an axis defined by the intersection

of the sample surface with the plane of the diffractometer (Fig. 5.1.2(18)).
With the angle of tilt a zero, the incident beam makes
an angle 8 with the plane of the sheet so that the count-
reflected
ing rate
is proportional to the pole density at the centre

of the pole figure. As a is increased, keeping j8 constant, poles lying on that diameter of the pole figure
which is normal to the axis of tilt (YY in Fig. 5.1.2(19))
pass successively through positions in which they
diffract X-rays into the counter. By repeating the
process for different values of j8, different diameters
involve rotation of the specimen during or between

exposures, a specimen shape can be chosen so that
are explored.
corrections for absorption in the specimen or for geo-
absorption corrections necessary.
(b)
Specimen Shape and Size
Since
all
sheet-texture
determination procedures
metrical factors are minimized or even eliminated.
two specimen shapes which most
dition are the cylinder rotated about

flat sheet rotated in its
own
The
easily fulfil this conits
axis
and the
plane.
Cylinders
With filamentous material wire, fibre, etc.

good approximation
usually possible to secure a

cylindrical form.
It is also possible,
cut cylindrical specimens
it
is
to a
but laborious, to
from sheet
material,
and
these can be used [18] with a counter diffractometer as

described in 5.1.2.2.
Cylindrical specimens should preferably be of such a

diameter as to be completely bathed in the incident
beam. Larger specimens may be reduced in diameter
either by etching, in which case it is difficult to maintain the cylindrical shape, by electrolytic turning, or by
mechanical means such as cutting or grinding. If the
last method has to be used it must be remembered that
the orientation of the crystallites is liable to be altered
as a result of the plastic deformation involved. The
diffraction pattern from a cylindrical specimen is due
mainly to crystals in the outer layers which may not
have the same orientation distribution as those in the
centre of the specimen, or, if the specimen has been
reduced in diameter, as those originally on the outside
of the specimen.
Alternatively the incident X-ray beam may be
allowed to glance across the surface of a larger cylinder
which may be stationary or, if the material is known
to have a fibre texture, rotating. If this method is
used, only rays diffracted within a limited range of
azimuthal angle can be recorded.
Fig. 5.1.2(19). Construction of a pole figure from data

obtained using the Schulz technique.
For angles of
tilt up to about 60, no absorption

necessary but at large angles defocusing
correction
is
effects are
important
[6].
The
useful
tilt
range can be
increased by decreasing the defocusing effects, e.g. by

very careful specimen alignment, by decreasing the
width of the main slit and by increasing the length of
the receiving slit.
5.1.2.3.
Experimental Technique
[19]
Choice of Reflecting Plane and Wavelength of

Radiation
(a)
In all film methods of texture determination it is

advantageous to use short wavelength radiation, thus
298
5.1.

consists in measuring the angles between the faces of
Flat Sheets
Most
pole-figure determinations are
made on
the crystals using a two-circle goniometer.

The specimen is illuminated by light from a collimator and viewed through a telescope along a direction
making an angle of about 20 with that of the incident
ex-
tended specimens often flat sheets. By allowing the

incident X-rays to make a constant angle with the
surface of the sheet and rotating the sheet about an
axis normal to its plane between exposures, the
absorption correction is the same for each angle of
rotation and varies only with the azimuthal angle of
light.
effect
reflection from a small mirror on the surface of the

sample) and a reference direction in the specimen is,
for the transmitted rays.
can be investigated,
if
necessary,
and
by
and transmission methods must be combined;

again it must be realized that very often the crystals in
the outer region of the sheet which give rise to the
reflected rays
may be differently orientated from
those in the inner portion of the sheet which are
tion
chiefly responsible
collimator and telescope are
intersect at the intersection of the vertical
horizontal axes of the goniometer. The zero position

of the goniometer is that in which the reference plane
of the sample is in the reflecting position (determined
the diffracted rays.

In order to explore the whole pole figure both reflec-
The axes of the
made to
say, vertical.
Poles of reflecting planes can be plotted directly on a

stereographic projection, readings on the horizontal
circle of the goniometer corresponding to radial distances from the centre of the projection, and readings
on the vertical circle corresponding to azimuthal
This
by measuring
the reflected intensity after careful removal of successive layers from the surface.
If reflected rays are to be recorded, the thickness t
of the specimen should preferably be effectively
infinite, {fit>2>). For transmission methods, t should be
positions around the centre.
With metal specimens, plane crystal faces can often

developed by etching with suitable reagents
[2, p. 175]. Reflection from the etch-pit faces may then
be
such that fi.t~l. Thicker samples can be reduced in

thickness but, as for cylindrical specimens, care must
be taken not to alter the crystal orientation by
be plotted as described above
mechanical deformation.
Since the anisotropy of the physical properties of

polycrystalline aggregates is determined by the orienta-
(c)
5.1.3.2.
Indirect Methods
tions of the individual crystallites, not only can the

physical properties of such materials be inferred from
Grain Size
When
[26].
the specimen consists of a few large crystals
the pole figure, but information about the degree of

preferred orientation can also be deduced from the
only, the poles of the reflecting plane in each crystal
can be plotted separately. As the grain size decreases,

becomes no longer possible to distinguish individual
crystals and the pole figure must be plotted in terms of
pole density. Unless, however, a large number of
measured anisotropy. Thus
in specimens showing a
high degree of orientation there is good correlation
between the anisotropy of elastic [1] or magnetic [4]
it
properties
grains are irradiated the diffracted intensity in a par-
and the
orientation.
Information obtained in this way is incomplete

since the quantity measured is averaged over all the
crystallites, but it does allow the degree of orientation
of the specimen to be expressed by a single number
feature which is of interest in many industrial applications. The extent to which the physical properties of
the aggregate are anisotropic depends upon the crystal
class [29]. Thus with cubic crystals, vector and secondorder tensor properties are isotropic, whilst for higherorder tensor properties the anisotropy can be expressed in terms of zonal harmonics [20].
Information about molecular orientation in transparent materials can be obtained by a study of their
be accurately proportional
to the pole density at the corresponding point of the
pole figure. The necessary minimum number of grains
to be irradiated [8] depends upon the type of distribution of orientations in the specimen but is approximately 10 6 Where the grain size is such that the
required number of crystals is not irradiated by an
incident beam of reasonable size (not greater than
1
diameter, say) it is necessary to use some sort of
integrating camera. By this means the specimen is
translated, without change of orientation, so that a
large area is irradiated by the incident beam.
ticular direction will not
mm
birefringence [25].
5.1.3.
Morphological and Other Methods
5.1.3.1.
Optical Methods
5.1.4. Interpretation of
of many polycrystalline materials

have well-developed faces of a particular form. When
illuminated with parallel light and viewed in a fixed
direction, strong reflections are observed as the specimen is rotated and the crystallites pass through reflecting positions. A convenient method of observation
The
The pole
crystallites
Pole Figures and Texture
figure or texture
map
is
Maps
only a means of
expressing information about texture. It is the interpretation of these data which is of practical interest and
since, unless each crystal of the aggregate is measured
and plotted separately, there is no ready way of determining a unique interpretation of the pole figure, this
299
5.1.
a matter requiring some skill. It is usual to compare

the completed pole figure with a projection of a single
crystal in one or more "ideal" orientations and to
is
attempt to describe the pole figure in terms of the

extent of the deviation from the ideal. Alternatively
the amount of the material which is within a given
angle from a particular orientation may be estimated.
Unless they are very accurately constructed a promuch time and labour pole figures can
only be approximate and their interpretation is therefore subject to reservation. Texture maps on the other
hand give an unbiassed picture of the texture although,
since the projection is not stereographic, their interpre-
cess requiring
tation
is
rather
more
difficult.
Appendices
5.1.1.
The Stereographic Projection: Trigonometrical
5.1.1.2.
MERIDIANS
Relations
77=90
The stereographic
where
where
projection
is
of graphical constructions
for the projections of various loci on the surface of the
reference sphere will be found. However, for the construction of charts for pole-figure work and similar
applications, it is often convenient to make use of the
well-known fact that circles on the reference sphere
[24],
project into circles
=0
discussed fully else-
Longitude =ifi
details
(x-R tan
5.1.1.3.
2
ifj)
+y 2 =R 2
sec 2
4>
REFLECTION CIRCLES
(a) Positive
hemisphere
77=9O-0
=0
on the projection, and to calculate
and the positions of their centres. The

necessary trigonometrical relations for this purpose
their radii
/r=y
2
are given in this Appendix.

\
(b)
cosy+sin0/
(cos
COS 2 9
y+sin0)
Negative hemisphere
77=90+ 9
=0
Rsiny
(
\
5.1.1.4.
cos y-sin
R 2 cos 2 9
(cos
9/
y-sin
0)
REFLECTION CIRCLES FOR SCHULZ METHOD
^=90- 9
77=9O-0
Rcot9 \ 2
1 + COS a)
Fig. 5.1.1.
of
The stereographic
projection.
sina\\ 2
i?sing
1+COS a J
R 2 cot 2 9
(1
+ cos
5.1.II.
Corrections involved in Texture Determinations
In using film methods allowance must be
With
tion to the projection

circle
we
reference to Fig. 5.1.1,
if>
and
R sin
cosi7+cos
The
on the plane z=0 of a small

77 and centre defined by the
projection
\2
ip
cos
,)
is
have already been mentioned.

corrections, both for film and
for counter methods, are those for absorption and for
irradiated volume. These are combined into one
The most important
sin
cos Cj
costj+cos
COS
77 + COS i/fcos
/
i/f
R sin
77
formula.
(/) Cylindrical Specimens. Absorption factors for
rays diffracted equatorially are to be found in Vol. II,
Table 5.3.5.B. These corrections need be applied only
if reflections at different 9 are to be compared (Section
77
-( COS + COS 0COS

5.1.1.1.
C)
PARALLELS OF LATITUDE
Non-equatorial transmission factors have

5.1.2.1).
not been computed systematically.
(ii) Flat Sheet Specimens. For definition of symbols
=90
Latitude=90-T7=T7'
x 2 +(y-R cosec
rj')
=R 2 cot
[7]
special cases
the circle
R cos
made
for the fact that the width of the Debye-Scherrer ring

varies with azimuth and y. Other corrections for
calculate the equa-
of angular radius
angles
a) 2
Projection
on the reference sphere.
circle
see Introduction.
r\
300
APPENDICES
5.1.
ILL TRANSMITTED RAYS

beam approximately parallel [22]. Corby multiplying
observed intensities by a factor E, where
Incident
(i)
rect relative intensities are obtained
each of the
1
E 1
|exp( fit/cos y') exp( /xf/cos
y)|
cos y/cos y
....(1)
y is the angle between the diffracted beam and the

normal to the sheet; and y, as before, the angle between the incident beam and the sheet normal. The
relation between y', y, 6 and the azimuth on the diffracted cone is (see Fig. 5.1.11(1))
cos y'= cos y cos
An
26+
sin
.... (2)
more convenient
alternative expression for E,
computation,
sin 20 sin 8
for
is
^=2Jexp(-J(l+m))
sinh J(l
m)
.(la)
J{\-m)
where J=fit/(2 cos
y),
m=cos y/cos y
For |/(l-w)|<0-25,
|/(l-m)|<0-5,
FarM-l/H,
(1)
and
E^-QxpJ(l+m)
to
E^yexpJ(l+m)
to
5%
2/
H7 eXpy(1+w)
eXP
Definition of angles in transmission
Fig. 5.1.11(1).
c^0
case.
incident
I,
R R2
normal.
(la) are equivalent to equation (17) in Vol.
l5
beam; R,
reflected
beam; N,
sheet
rays reflected equatorially.
II, 5.3.8.
It is not practicable to include tables of values of

the correction factor for varying 6, y and 8. They
would take up much space and would be of use only
In Vol. II, Section 5.3.8, tables of correction factors for

the diffracted beam, relative to the correction factor
= |y'|=0*, are given as a function of a and 6.

|y|
These relative values are less sensitive to a change of
6, which facilitates interpolation. On the other hand,
if information from different Debye rings is to be
combined, as is possible when film methods are used,
for
where quantitative work

not frequently done. We consider only the equatorial case with respect to the axis of rotation parallel
to the sheet. In the pure transmission case there are
for the photographic method,
is
two rays equatorially diffracted, namely Rx and R 2

which differ in azimuth by it. With the signs of 8 and
y as shown in Fig. 5.1.11(1) the Rt ray corresponds to
,
3= tt/2
+7r/2 for negative values of y or
positive values of y.
ray
lt
Thus from equation
y'=20-|y|, while for the ray
8=
R2
(2),
n-/2
(ii) If a divergent incident beam is used, together with

a narrow slit at the counter [22] then, provided that
for
beam
(a) the
for the
is
limited at the counter
by the counter
slit,
y'=26+\y\.
(b) the
Table 5.1 A gives values of the correction factor E\\i

for both rays. It is reported [10] that it is preferable
to make measurements with the R 2 ray.
In using the counter-diffractometer method, the
angle a between the reflecting plane and the sheet
normal is often chosen as a variable instead of y.
With a measured in the same direction as y, the relation between the angles is as follows
For Rj
For R
necessary to use the absolute correction factors
in Table 5.1 A.
for negative values of y or 8=+tt/2 for posiof y. Similarly the

2 ray corresponds to
tive values
8=
it is
(c)
counter
slit is
wider than the source,
the sample thickness
beam
is less
than the width of the
at the sample,

* In the counter method it is customary to set the sheet and
the counter initially in this position; the sheet is then rotated
in such a sense that \y\ first decreases to zero and the sheet
normal then passes through the primary beam as |y| increases
again. The diffracted beam entering the counter is thus first R x
as \y\ decreases to zero and then, as |y| increases again,
The
2
tables in Vol. II, Section 5.3.8, therefore contain values for both
y=a!+0
y=a 2 -0
R
301
and
2.
APPENDICES
TABLE
.Intensity Correction Factor for Equatorially Diffracted
I- 008
*=
/x
5.1A
Rays measured
?/*"/
in Transmission through
a Flat Plate
(see 5.1.II.1)
exp(-jLt//cosy')-exp(-/x//cosy)
where
and
|y'|
|y'|
= |20 |y||
= |20+jy||
for diffracted ray

for diffracted ray
R
R2
x
y=0
e-v.t
6
^^^
002
01
0-2
0-3
0-4
0-5
0-6
0-7
0-8
0-9
R>\
2-5
2-5
12*9
4-36
3-12
2-78
2-73
2-89
3-27
4-01
5-60
10-6
5
7-5
13-2
4-42
3-14
2-79
2-75
2-90
3-28
4-02
5-61
10-6
7-5
13-7
2-83
2-77
2-92
3-29
403
5-62
10-6
10
14-4
4-52
4-67
3-20
10
3-27
2-88
2-81
2-95
3-32
4-05
5-64
10-6
12-5
12-5
15-5
4-88
3-37
2-94
2-86
3-00
3-35
4-08
5-67
10-6
15
15
170
516
3-51
303
2-93
304
3-39
10-6
17-5
191
5-54
3-69
3-15
301
311
3-45
412
416
5-70
17-5
5-74
10-7
20
20
21-9
6-05
3-93
3-31
3-13
3-20
3-52
4-23
5-80
10-7
22-5
22-5
25-8
6-74
4-26
3-52
3-28
3-32
3-62
4-31
5-86
10-8
25
25
31-4
7-70
4-70
3-80
3-48
3-48
3-75
4-42
5-96
10-9
27-5
27-5
39-3
5-33
419
3-76
3-69
3-92
4-56
6-08
110
30
30
510
111
6-25
4-76
4-17
400
4-17
4-76
6-25
111
32-5
32-5
68-6
14-3
5-64
4-78
4-45
4-53
506
6-50
11-3
35
35
96-3
19-5
101
7-12
5-81
5-22
5-13
5-54
6-89
11-6
37-5
37-5
143
28-7
14-5
9-86
7-72
6-64
6-21
6-39
7-58
12-2
40
40
23-8
15-9
121
42-5
238
524
47-6
42-5
52-4
34-9
26-2
907
105
7-68
302
9-89
21-0
8-70
17-6
8-32
909
13-4
15-34
14-50
17-4
APPENDICES
TABLE
5.1A (continued)
Intensity Correction Factor for Equatorially Diffracted
Rays measured
1-cosy/cos/
\l
exp(-^tf/cosy')-exp(-)u,r/cosy)
(see
where
and
\y'\
|y'|
= |20- |y||
= |20+jy||
a Flat Plate
SA
for diffracted ray

for diffracted ray
R
R2
v=5
e -nt
6
R2
5
7-5
^s
002
01
0-2
0-3
2-5
12-8
4-34
3-10
2-76
5
7-5
12-9
4-36
3-11
2-77
V\
0-5
0-6
2-72
2-88
2-73
2-88
0-4
0-9
0-7
0-8
3-25
3-99
5-58
10-5
3-25
4-00
5-58
10-5
13-2
4-42
3-14
2-79
2-74
2-89
3-27
400
5-59
10-5
10
13-7
4-52
3-19
2-82
2-77
2-91
3-28
4-02
5-61
10-5
12-5
14-5
4-68
3-27
2-87
2-80
2-94
3-31
4-04
5-62
10-5
10-6
10
15
15-6
4-88
3-37
2-94
2-85
2-98
3-34
4-07
5-65
12-5
17-5
17-1
5-17
3-51
2-92
3-04
3-38
4-10
5-68
10-6
15
20
19-2
5-54
3-69
303
315
3-01
310
3-44
4-15
5-72
10-6
17-5
22-5
22-0
605
3-93
3-30
3-12
3-19
3-51
4-21
5-78
10-7
20
25
260
6-75
4-26
3-51
3-27
3-31
3-61
4-30
5-84
10-7
22-5
27-5
31-6
7-71
4-70
3-79
3-48
3-47
3-74
4-40
5-94
10-8
25
30
39-6
9-09
5-33
4-18
3-76
3-68
3-91
4-55
606
10-9
27-5
32-5
51-4
111
6-25
4-76
4-16
3-99
416
4-75
6-23
111
30
35
69-2
14-3
7-69
5-64
4-78
4-45
4-52
5-04
6-48
11-3
32-5
37-5
97-1
19-5
7-11
5-80
5-21
5-11
5-52
6-87
11-6
35
40
145
28-8
14-5
7-71
6-63
6-20
6-38
7-56
12-2
37-5
42-5
47-8
23-9
15-9
12-0
9-87
8-68
8-30
906
13-4
40
45
240
530
52-5
35-0
26-2
105
101
9-86
303
21-0
17-5
15-3
14-4
17-4
APPENDICES
TABLE
5.1A {continued)
*=
[l
Rays measured
1-cosy/cos/
a Flat Plate
(seeSUI.l)
exp(-/i//cosy')-exp(-/xr/cosy)
where |y'|H20-|y|| for diffracted ray

and |y'| = |20+|y|| for diffracted ray
R
R2
y=10
e -m
002
01
0-2
0-3
0-4
0-5
0-6
0-7
0-8
13-0
4-35
310
2-75
2-71
2-86
3-23
3-96
5-53
10-4
7-5 (2-5)
13-1
4-37
3-11
2-76
2-71
2-86
3-23
3-96
5-53
10-4
10
13-4
4-43
3-14
2-78
2-72
2-87
3-24
3-97
5-54
10-4
2-5
12-5
13-9
4-53
3-19
2-81
2-75
2-89
3-26
3-98
5-55
10-4
15
14-7
4-68
3-26
2-86
2-79
2-92
3-28
4-00
5-57
10-4
2-96
3-31
4-03
5-59
10-4
3-01
3-36
4-07
5-62
10-5
3-08
3-41
411
5-66
10-5
3-17
3-48
4-18
5-72
10-6
5-79
10-6
R2
7-5
^v.
0-9
R^\^
17-5
15-8
4-90
3-36
2-93
10
20
17-3
5-18
3-50
3-02
12-5
22-5
19-5
5-56
3-68
3-14
15
17-5
25
22-4
608
3-92
3-29
2-84
2-90
2-99
3-10
27-5
26-4
6-77
4-25
3-50
3-25
3-29
3-58
4-26
20
30
32-1
7-75
4-70
3-78
3-46
3-44
3-71
4-36
5-88
10-7
22-5
32-5
40-4
914
5-32
4-17
3-74
3-66
3-88
4-50
600
10-8
25
35
52-6
11-2
6-25
4-74
4-14
3-96
4-12
4-70
6-17
110
27-5
37-5
71-0
14-4
7-69
5-62
4-75
4-42
4-48
5-00
6-41
11-2
30
40
99-9
19-7
7-10
5-77
5-18
5-07
5-47
6-80
11-5
32-5
42-5
149
291
14-5
6-59
6-15
6-32
7-48
12-0
35
45
24-0
15-9
12-0
9-81
8-61
8-23
8-97
13-2
37-5
47-5
248
547
48-4
52-8
35-0
26-1
107
101
9-85
304
7-68
20-8
17-4
15-2
14-3
17-2
APPENDICES
TABLE
5.1A {continued)
E_
Rays measured
a Flat Plate
1-cos y/cosy'
(see 5.1. II. 1)
/i
exp(-/x//cos y')-exp(-^//cosy)
where
and
|y'|
|y'|
= |20-|y||
= |20+|y||
for diffracted ray

for diffracted ray
R
R
x
2
y=15
e -nt
0\v
R2
0-02
01
0-2
0-3
0-4
0-5
0-6
0-7
0-8
0-9
R>\
7-5
13-2
4-37
2-68
2-82
3-18
3-89
5-43
10-2
13-3
4-39
309
310
2-73
10(5)
2-74
2-68
2-82
3-18
3-90
5-44
10-2
12-5 (2-5)
13-6
4-45
3-13
2-76
2-70
2-84
319
3-90
5-44
10-2
14-2
4-55
3-18
2-79
2-72
2-86
3-21
3-92
5-45
10-2
2-5
15
17-5
15-0
4-70
3-25
2-84
2-76
2-88
3-23
3-94
5-47
10-2
5
7-5
20
161
4-92
3-35
2-91
2-81
2-92
3-26
3-97
5-50
10-3
22-5
17-7
5-20
3-49
300
2-87
2-98
3-31
400
5-53
10-3
10
25
19-9
5-59
3-67
311
2-96
3-04
3-36
4-05
5-57
10-3
12-5
27-5
23-0
611
3-92
3-27
3-07
3-13
3-44
411
5-62
10-4
15
30
27-2
6-82
4-24
3-48
3-22
3-25
3-53
4-19
5-69
10-4
17-5
32-5
33-2
7-81
4-69
3-76
3-42
3-40
3-65
4-29
5-78
10-5
20
35
41-9
9-23
5-32
4-15
3-70
3-61
3-82
4-43
5-90
10-6
22-5
37-5
54-8
11-4
6-26
4-72
4-10
3-92
4-06
4-63
606
10-8
25
40
74-2
14-6
7-71
5-60
4-71
4-37
4-42
4-92
6-30
110
27-5
42-5
7-07
5-72
5-12
500
5-38
6-68
11-3
30
6-52
607
6-22
7-36
11-8
32-5
9-72
8-51
8-11
8-82
35
50
105
20-0
45
157
29-7
14-6
9-83
47-5
262
579
49-5
24-2
15-93
11-9
53-4
351
26-1
109
101
305
7-63
20-7
17-2
15-0
141
130
16-9
APPENDICES
TABLE
5.1A (continued)
Rays measured
1-cosy/cosy-
/x
exp(-/A?/cos y )-exp(-fxt/cos y)
a Flat Plate
(see 5.1.II.1)
where
and
|y'(
|y'|
= |20-|y||
= |20+|y||
for diffracted ray
R^
for diffracted ray
y=20
e -nt
6
\r\
0-02
01
0-2
0-3
0-4
0-5
0-6
0-7
0-8
0-9
9-94
13-6
4-39
3-07
2-70
2-64
2-77
3-12
3-81
5-30
12-5 (7-5)
13-7
4-41
3-08
2-71
2-64
2-78
312
3-81
5-30
9-94
15(5)
14-0
4-47
3-11
2-73
2-66
2-79
3-13
3-82
5-31
9-95
17-5 (2-5)
10
14-6
4-58
3-16
2-76
2-68
2-81
3-14
3-83
5-32
9-96
20
15-5
4-73
3-24
2-81
2-72
2-84
3-17
3-85
5-34
9-98
2-5
22-5
16-7
4-95
3-34
2-88
2-77
2-87
3-20
3-88
5-36
10-0
5
7-5
25
18-3
5-24
3-48
2-97
2-83
2-92
3-24
3-91
5-39
100
27-5
5-64
3-66
3-08
2-92
2-99
3-30
3-96
5-43
10-1
6-17
3-91
3-24
3-03
3-08
3-37
4-02
5-48
101
3-44
3-18
319
3-46
4-10
5-55
10-2
10
30
20-6
23-9
12-5
32-5
28-4
6-89
4-23
15
35
34-8
7-90
4-68
3-72
3-38
3-34
3-58
4-20
5-64
10-2
17-5
37-5
44-1
9-34
5-32
4-12
3-65
3-55
3-75
4-34
5-76
10-3
20
40
58-0
11-5
6-26
4-69
4-05
3-85
3-99
4-53
5-92
10-5
22-5
42-5
79-1
15-4
7-74
5-57
4-66
4-34
4-81
6-15
10-7
25
45
7-04
5-66
4-30
5-04
4-91
5-27
6-52
110
27-5
7-56
11-5
30
32-5
52-5
112
20-5
47-5
169
30-6
14-8
6-42
5-96
609
7-18
50
284
629
51-2
24-5
15-9
11-8
9-60
8-36
7-94
8-62
54-3
35-3
26-0
20-48
113
10-2
9-81
306
16-9
14-7
13-8
12-6
16-4
APPENDICES
TABLE
5.1A {continued)
E_
Rays measured
in Transmission through a Flat Plate
1-cosy/cosy'
(see 5.1. II. 1)
/a
exp(-/if/cos y')-exp(-/i.r/cos y)
where
and
|y'|
|y'|
= |20-|y||
= |26>+|y||
for diffracted ray
Rx
for diffracted rayR 2
y=25
e -nt
O
R2
002
01
0-2
12-5
14-1
4-42
306
2-67
15 (10)
14-2
4-44
3-07
2-68
17-5 (7-5)
14-5
4-50
3-10
2-69
20(5)
15-1
4-61
315
2-73
22-5 (2-5)
161
4-77
3-22
^S.
0-5
0-6
0-7
0-8
2-59
2-71
3-04
3-70
5-14
9-61
2-60
2-71
3-04
3-70
5-14
9-61
2-61
2-72
3-05
3-71
5-14
9-62
2-64
2-74
306
3-72
5-16
9-63
2-78
2-67
2-77
3-09
3-74
5-17
9-64
0-3
0-4
0-9
rN^
25
17-5
4-99
3-33
2-85
2-72
2-81
3-12
3-77
519
9-66
2-5
27-5
19-2
5-30
3-46
2-93
2-78
2-86
3-16
3-80
5-22
9-69
5
7-5
30
21-6
5-70
3-65
3-05
2-87
2-92
3-21
3-85
5-26
9-72
32-5
25-1
6-24
3-90
3-20
2-98
3-01
3-28
3-90
5-31
9-77
35
300
6-99
4-23
3-41
312
3-12
3-37
3-98
5-38
9-82
9-89
10
12-5
37-5
37-0
804
4-68
3-69
3-32
3-27
3-49
4-08
5-46
15
40
47-4
9-55
5-33
4-08
3-59
3-48
3-66
4-21
5-58
17-5
42-5
62-8
6-28
4-65
3-99
3-77
3-89
4-40
5-73
20
45
5-53
4-59
4-22
4-23
4-68
5-96
10-3
22-5
47-5
7-01
5-59
4-94
4-79
5-12
6-32
10-6
86-4
11-8
15-4
124
21-3
7-78
10-3
25
50
188
31-8
150
27-5
52-5
53-6
24-9
160
11-8
30
55
316
705
55-5
35-5
25-9
119
9-80
307
7-47
9-99
10-1
6-31
5-82
5-92
6-96
111
9-44
8-17
7-72
8-35
12-2
20-2
16*6
14-3
13-4
15-9
APPENDICES
TABLE
5.1A (continued)
E_
I*
Rays measured
1-cosy/cosy'
exp(- fit/cos y ') - exp(- /Li//cos
where
and
|y'|
|y'|
= |20 |y||
= |20+|y||
a Flat Plate
(see 5.1.II.1)
y)
for diffracted ray
for diffracted ray
Rx
R
2
y=30
e-"*
\^
r\
R2
002
01
0-2
0-3
0-4
0-5
0-6
0-7
0-8
0-9
14-8
4-47
2-53
3-56
2-63
2-54
2-94
3-57
4-94
4-94
9-21
4-49
2-64
2-64
2-94
14-9
304
305
2-63
17-5 (12-5)
20
15-2
4-56
3-08
2-65
2-55
2-65
2-95
3-58
4-94
9-22
15
(10)
9-21
22-5
(7-5)
15-9
4-67
3-13
2-69
2-58
2-67
2-97
3-59
4-96
9-22
25
(5)
16-9
4-83
3-21
2-73
2-61
2-70
300
3-61
4-97
9-24
9-26
9-29
18-3
506
3-31
2-80
2-66
2-73
3-02
3-63
4-99
30
20-2
5-37
3-45
2-89
2-72
2-78
306
3-67
5-02
2-5
32-5
23-0
5-79
3-64
2-85
3-11
3-71
26-8
6-36
3-89
2-92
2-93
3-18
3-76
506
511
9-32
35
300
316
2-81
5
7-5
37-5
32-3
7-13
4-22
3-36
306
304
3-26
3-84
5-17
9-41
10
40
40-2
8-23
4-68
3-64
3-25
319
3-38
3-93
5-25
9-48
12-5
42-5
51-9
9-81
5-34
4-03
3-52
3-39
3-54
406
5-36
9-57
15
45
69-6
12-2
6-32
4-60
3-91
3-68
3-77
4-25
5-51
9-70
17-5
47-5
97-0
160
7-85
5-49
4-51
4-11
4-10
4-51
5-73
20
50
140
22-3
6-98
5-50
4-83
4-64
4-94
6-08
10-2
22-5
52-5
15-2
7-38
6-17
5-65
5-72
55
57-0
25-6
161
11-7
9-26
7-95
7-47
6-69
8-04
11-7
27-5
57-5
215
365
819
33-6
25
57-4
35-9
25-8
27-5
(2-5)
128
10-4
9-80
308
19-9
16-2
13-8
12-9
9-36
9-89
10-7
15-2
APPENDICES
TABLE
5.1A (continued)
1-cosy/cos/
*/x
Rays measured
(see 5.1.II.1)
exp(-/*//cos y')-exp(- fit/cosy)
where y '| = |20-|y|| for diffracted ray

and jy'| = |20+|y|| for diffracted ray
|
R
R
x
2
y=35
e -nt
e
002
01
0-2
0-3
0-4
0-5
0-6
0-7
0-8
0-9
15-6
4-54
3-02
2-58
2-47
2-55
2-83
3-41
4-56
3-03
2-59
2-47
2-55
2-83
3-41
4-70
4-70
8-74
15-8
22-5 (12-5)
16-2
4-63
3-06
2-61
2-49
2-56
2-84
3-42
4-71
8-75
25
16-9
4-74
3-12
2-64
2-51
2-58
2-85
3-43
4-72
8-76
18-0
4-91
319
2-69
2-54
2-61
2-87
3-45
4-74
8-77
^^
R^\
R2
17-5
20
(15)
(10)
8-74
27-5
(7-5)
30
(5)
19-6
515
3-30
2-75
2-59
2-64
2-90
3-48
4-76
8-79
32-5
(2-5)
21-8
5-48
3-44
2-65
2-69
2-94
3-51
4-78
8-81
35
24-8
5-92
3-64
2-84
2-96
2-74
2-76
2-99
3-55
4-82
8-84
2-5
37-5
29-2
6-51
3-88
3-11
2-84
2-84
3-06
3-60
4-87
8-88
40
35-4
7-33
4-22
3-32
2-99
2-94
3-14
3-67
4-92
8-93
7-5
42-5
44-6
8-49
4-70
3-60
3-18
309
3-26
3-77
5-00
10
45
58-3
10-2
5-37
3-99
3-44
3-28
3-41
3-89
511
900
909
12-5
47-5
79-5
12-7
6-37
4-56
3-83
3-56
3-63
4-07
5-25
9-21
15
50
113
16-8
7-95
5-45
4-42
3-99
3-95
4-32
5-46
9-39
17-5
52-5
166
23-7
6-96
5-40
4-69
4-48
4-74
5-79
9-66
20
55
15-7
6-01
5-45
5-48
6-38
101
57-5
61-8
26-5
16-2
11-6
906
7-70
7-17
7-67
11-1
25
60
257
441
997
361
22-5
139-7
600
36-5
25-7
10-6
9-82
309
7-27
19-6
15-8
13-3
12-3
14-5
APPENDICES
TABLE
5.1
E_
1- cosy/cos
(continued)
Rays measured
y'
(see 5.1.II.1)
fi.
exp(-/x//cos y')-exp(-/^/cos y)
where
and
= |20-|y||
|y'| = |20+|yjj
|/|
for diflFracted ray

for diffracted ray
R
R2
y=40
e -nt
6
^X.
2-5
r\
20
002
01
0-2
0-3
0-4
0-5
0-6
0-7
0-8
0-9
16-8
4-63
301
2-54
2-70
3-24
4-44
8-21
16-9
4-66
3-02
2-54
2-40
2-40
2-45
22-5 (17-5)
2-46
2-70
3-24
4-44
8-21
25
17-4
4-72
3-05
2-56
2-41
2-47
2-71
3-25
4-45
8-22
27-5 (12-5)
18-2
4-85
3-11
2-59
2-44
2-48
2-72
3-26
4-46
8-22
30
19-4
5-03
3-18
2-64
2-47
2-51
2-74
3-28
4-47
8-24
(15)
(10)
32-5
(7-5)
21-2
5-28
3-29
2-71
2-52
2-54
2-77
3-30
4-49
8-25
35
(5)
23-7
5-62
3-44
2-79
2-58
2-59
2-81
3-33
4-52
8-28
37-5
(2-5)
27-3
609
3-63
2-91
2-66
2-65
2-86
3-37
4-55
8-30
40
32-3
6-72
3-89
3-07
2-76
2-73
2-92
3-42
4-59
8-34
42-5
39-7
7-60
4-24
3-27
2-90
2-84
300
3-49
4-65
8-39
8-84
8-45
45
50-7
4-73
3-55
309
2-98
3-11
3-58
4-72
7-5
47-5
67-6
10-7
5-42
3-94
3-36
3-17
3-26
3-70
4-82
8-54
10
50
94-1
13-5
6-46
4-52
3-74
3-44
3-47
3-86
4-96
8-65
12-5
52-5
136
180
5-43
4-32
3-86
3-78
4-11
516
8-82
15
55
205
25-7
6-96
5-30
4-54
4-29
4-50
5-47
9-07
324
564
1287
39-7
16-3
5-84
5-24
5-22
603
690
27-9
16-5
11-5
8-84
7-41
6-83
7-25
63-7
37-5
26-5
17-5
57-5
20
60
22-5
62-5
157
8-12
10-9
9-89
310
7-17
19-3
15-3
12-8
11-6
9-52
10-5
13-6
APPENDICES
TABLE
5.1.A (continued)
E
fj.
Rays measured
-cosy/cosy'
(see 5.1. II. 1)
exp(-/A*/cos y')-exp(-/if/cos y)
where
|y'|
and
|y'|
= |20-|y||
= |20+|y||
for diffracted ray

for diffracted ray
Rx
R
2
y=45
e -t
01
0-2
0-3
0-4
0-5
0-6
0-7
0-8
0-9
4-76
4-79
301
302
2-49
2-32
2-35
2-56
7-62
2-49
2-32
2-35
2-56
4-15
7-62
27-5 (17-5)
190
4-86
3-05
2-51
2-34
2-36
2-57
305
305
306
4-15
18-4
4-15
7-63
30
19-9
4-99
3-11
2-54
2-36
2-38
2-58
3-07
4-16
7-64
32-5 (12-5)
21-3
5-18
319
2-59
2-39
2-40
2-60
3-08
4-18
7-65
35
23-4
5-46
3-30
2-44
2-63
310
4-20
7-66
3-45
2-66
2-75
2-44
5-82
2-50
2-48
2-67
3-13
4-22
7-68
6-33
3-65
2-86
2-58
2-71
3-17
4-25
7-71
2-77
3-22
4-29
7-74
002
^v.
rN^
R2
22-5
25
(20)
(15)
(10)
18-3
37-5
(7-5)
40
(5)
26-4
30-6
42-5
(2-5)
36-7
701
3-92
302
2-68
2-54
2-62
45-7
7-98
4-28
3-23
2-81
2-72
2-85
3-29
4-35
7-79
9-34
45
2-5
47-5
59-5
5
7-5
50
81-3
52-5
10
55
12-5
57-5
15
60
17-5
62-5
20
65
117
174
271
438
777
1780
4-78
3-51
300
2-85
2-96
3-37
4-41
7-85
11-4
5-51
3-90
3-27
304
310
3-48
4-51
7-92
14-5
6-61
4-49
3-64
3-31
3-30
3*64
4-64
8-03
19-7
8-36
5-42
4-23
3-71
3-60
3-87
4-82
8-19
700
5-21
4-38
409
4-25
512
8-42
7-08
5-65
500
4-92
5-64
8-84
8-61
7-10
6-46
6-79
9-71
28-6
11-4
45-1
17-2
79-8
300
185
69-3
100
170
391
311
11-4
26-0
190
14-7
12-1
10-9
12-6
APPENDICES
TABLE
5.1.A (continued)
E_
fx
Rays measured
a Flat Plate
1-cos y/cosy'
exp(-/i?/cos y') _exP(-^/cosy)
where
and
|y'|
|y'|
= |20-|y||
= |20+|y||
(see 5.1.II.1)
for diffracted ray

for diffracted ray
R
R2
y=50
e -nt
e
^*>.
r\
25
27-5 (22-5)
30
002
01
0-2
0-3
0-4
0-5
0-6
0-7
0-8
0-9
20-2
4-95
3-02
2-44
2-24
2-24
2-41
2-84
3-83
6-98
20-4
4-98
3-03
2-45
2-24
2-24
2-41
2-84
3-83
6-98
21-0
5-06
3-06
2-25
2-42
2-85
3-84
6-98
22-1
5-20
3-12
2-47
2-50
2-26
32-5 (17-5)
2-28
2-26
2-43
2-86
3-84
35
23-8
5-41
3-20
2-55
2-31
2-29
2-45
2-87
3-86
6-99
7-00
7-02
(20)
(15)
37-5 (12-5)
26-3
5-70
3-32
2-61
2-36
2-32
2-48
2-89
3-87
40
29-8
611
3-48
2-70
2-42
2-36
2-51
2-92
3-90
7-04
3-93
7-06
(10)
42-5
(7-5)
35-0
6-66
3-69
2-82
2-49
2-42
2-55
2-96
45
(5)
42-6
7-42
4-00
2-98
2-60
2-50
2-61
3-00
3-96
7-09
47-5
(2-5)
54-1
8-49
4-35
3-19
2-73
2-60
2-69
3-06
4-01
7-13
7-19
50
2-5
52-5
55
7-5
57-5
10-0
4-88
3-45
2-92
2-73
2-79
3-14
4-07
102
152
12-4
5-66
3-88
3-18
2-91
2-92
3-24
416
7-26
160
6-84
4-49
3-55
3-17
3-11
3-39
4-28
7-36
239
389
22-2
5-44
4-14
3-56
3-40
3-61
4-46
7-50
7-09
5-12
4-22
3-87
3-97
4-73
7-72
5-47
4-74
6-77
4-61
5-22
8-10
606
6-28
8-90
72-2
10
60
12-5
62-5
15
65
653
1189
17-5
67-5
1281
33-0
8-74
121
7-02
53-6
18-6
10-3
97-2
33-1
17-7
11-5
78-0
41-5
26-5
229
312
8-40
18-8
14-2
11-4
101
11-6
APPENDICES
TABLE
5.1A (continued)
E
/a
Rays measured
a Flat Plate
-cosy/cosy"
(see 5.1.II.1)
exp(-/xf/cosy')-exp(-/uf/cosy)
where
and
|y'|
|y'|
= |20-jy||
= |20+|y||
for diffracted ray

for diffracted ray
Rx
R2
y=55
e -nt
002
01
0-2
0-3
0-4
0-5
0-6
0-7
0-8
0-9
22-6
5-20
3-06
2-40
2-25
2-62
3-49
6-29
5-23
3-07
2-41
216
216
2-12
22-8
2-12
2-25
2-62
3-49
6-29
32-5 (22-5)
23-5
5-32
2-43
2-18
2-13
2-26
2-62
3-49
6-29
35
24-9
5-48
310
316
2-46
2-20
215
2-27
2-63
3-50
6-30
37-5 (17-5)
26-9
5-71
3-25
2-51
2-23
2-17
2-29
2-65
3-51
6-31
40
N.
R>\
R2
27-5
30
(25)
(20)
300
6-04
3-37
2-58
2-27
2-20
2-31
2-67
3-53
6-32
42-5 (12-5)
34-4
6-50
3-54
2-67
2-33
2-24
2-34
2-69
3-55
6-34
45
(15)
40-8
7-12
3-76
2-79
2-41
2-30
2-39
2-72
3-58
6-36
47-5
(7-5)
50-6
7-99
406
2-95
2-51
2-37
2-44
2-77
3-61
6-39
50
(5)
65-9
9-22
4-47
3-17
2-65
2-47
2-51
2-82
3-66
6-43
(10)
52-5
(2-5)
55
2-5
57-5
60
7-5
62-5
10
65
12-5
67-5
15
70
910
134
213
359
627
1115
2112
5120
110
5-05
3-46
2-83
2-59
2-61
2-90
3-71
6-48
13-8
5-90
3-89
309
2-77
2-74
2-99
3-79
6-54
18-3
7-20
4-52
3-47
3-02
2-92
313
3-90
6-63
260
9-34
5-52
406
3-41
319
3-34
406
6-76
7-28
5-06
406
3-64
3-67
4-31
6-96
7-02
5-29
4-48
4-27
4-76
7-30
8-22
6-44
5-64
5-74
40-2
13-2
67-9
20-8
10-8
128
38-2
190
11-7
309
92-4
45-6
27-6
313
18-7
13-7
11-7
9-30
8-02
10-5
APPENDICES
TABLE
5.1A {continued)
E_
Rays measured
a Flat Plate
-cosy/cosy'
(see 5.1.II.1)
/x.
exp(-ft//cosy')-exp(-/uf/cosy)
where
|y'|
and
|y'|
= |20-|y||
= |20+|y||
for diffracted ray

for diffracted ray
Rx
R2
v=60
e -nt
6
01
0-2
0-3
0-4
0-5
0-6
0-7
0-8
0-9
rN^
002
^s.
30
25-5
5-56
3-12
2-38
2-08
2-38
3-12
5-56
25-8
5-59
3-14
2-39
209
200
200
2-08
32-5 (27-5)
2-08
2-38
3-13
5-56
35
26-7
5-69
3-17
2-41
2-10
2-01
2-39
313
5-56
37-5 (22-5)
28-3
5-87
3-24
2-44
2-12
2-03
209
210
2-40
3-14
5-57
40
30-9
6-14
3-33
2-49
216
2-05
2-12
2-41
3-15
5-57
42-5 (17-5)
34-6
6-52
3-47
2-43
316
5-59
7-04
3-65
2-20
2-26
2-14
40-2
2-56
2-66
2-08
45
212
2-17
2-45
3-18
5-60
47-5 (12-5)
48-5
1-11
3-89
2-78
2-34
2-18
2-21
2-48
3-20
5-62
50
61-4
8-79
4-22
2-95
2-44
2-25
2-26
2-52
3-24
5-65
4-67
3-18
2-58
2-34
2-33
2-57
3-28
5-68
(25)
(20)
(15)
(10)
52-5
(7-5)
55
(5)
57-5
(2-5)
60
2-5
62-5
65
7-5
67-5
10
70
12-5
72-5
82-4
10-3
12-5
5-32
3-49
2-76
2-46
2-42
2-64
3-33
5-72
15-9
6-27
3-94
3-02
2-64
2-54
2-73
3-40
5-78
320
602
21-7
1-11
4-62
3-41
2-89
2-72
2-87
3-50
5-86
32-2
10-3
5-71
4-02
3-27
2-98
305
3-65
5-97
1188
52-5
14-9
7-65
506
3-91
3-41
3-36
3-87
6-15
5-14
4-22
3-92
4-28
6-45
8-12
6-12
5-20
5-17
7-10
8-42
9-26
118
186
2333
4703
11900
94-5
188
474
24-5
11-6
47-1
21-1
12-1
52-7
29-6
119
314
7-12
190
13-3
10-0
APPENDICES
TABLE
5.1A (continued)
E_
Rays measured
-cosy/cosy'
(see 5.1.II.1)
/a
exp(-/xf/cos y')-exp(-/i.//cos y)
where
and
|y'|
jy'j
= |20-|y||
= |20+|y||
for diffracted ray

for diffracted ray
R
R2
y=65
e -nt
d
^v
002
0-1
0-2
0-3
0-4
0-5
0-6
0-7
0-8
0-9
29-0
603
3-25
2-38
2-02
1*89
1-92
2-14
2-75
4-78
29-4
6-07
3-26
2-39
203
1-89
1-92
2-14
2-75
4-79
37-5 (27-5)
30-5
619
3-30
2-41
2-04
1-90
1-92
2-14
2-75
4-79
40
32-5
6-40
3-37
2-45
1-91
1-94
2-15
2-76
4-79
35-6
6-71
3-48
2-50
206
209
1-94
1-95
216
2-77
4-80
R2
V\
40-3
7-16
3-63
2-58
214
1-97
1-97
2-18
2-78
4-81
47-5 (17-5)
47-3
7-79
3-83
2-68
201
200
2-20
2-80
4-82
50
58-1
8-67
410
2-81
2-20
2-28
2-06
2-04
2-23
2-82
4-84
75-2
9-92
4-48
2-99
2-38
213
209
2-27
2-85
4-86
500
3-24
2-53
2-22
2-15
2-31
2-88
4-89
32-5
35
(30)
(25)
42-5 (22-5)
45
(20)
(15)
52-5 (12-5)
55
(10)
104
11-8
57-5
(7-5)
157
14-6
5-75
3-58
2-72
2-34
2-24
2-38
2-93
4-93
60
(5)
191
6-88
4-07
2-99
2-51
2-35
2-46
2-99
4-98
62-5
(2-5)
264
508
27-2
8-69
4-82
3-39
2-76
2-52
2-58
3-08
5-05
65
1131
42-6
11-8
606
403
314
2-77
2-70
3-22
5-15
2-5
67-5
2785
75-8
17-9
8-32
5-15
3-79
318
304
3-42
5-30
70
7-41
5-05
3-96
3-56
3-78
5-56
7-5
72-5
8-17
5-84
4-75
4-58
6-12
9-32
7-51
8-01
10
75
6655
15040
40380
152
31-4
131
334
896
64-9
25-2
13-1
66-5
33-7
174
315
19-9
130
APPENDICES
the observed diffracted intensities should be multiplied
5.1.II.3.
by B, where
r/B*
(1
The intensity-correction factors given by the above

expressions (1) and (4), and those tabulated in Tables
5.1
and B, form a single consistent set. If exposure
times and incident-beam intensity are controlled,
cosy
-cos y/cos
cos 6 cos (y-0)
y')
{exp(- fit/cos y')-exp(-fMt/cos y)}
Note. Ify=0, B={(cos
Under
6)lt}
exp(^/cos
observed intensities of both reflected and transmitted

by the appropriate factor, may
be combined on the same pole figure.
(3)
rays, after correction

6).
these circumstances the correction factor
approximately constant
transmitted and reflected rays
is
if
0-3<^<0-4
0*40
y>e+20
For any given value of 6 there is an optimum value
of fit such that the correction factor is approximately
constant for
y*0+4O
5.1.II.2.
reflected rays
With a
sities
parallel incident beam the observed intenshould be multiplied by the appropriate value of
D, where
exp(-/x//cos y')
pID-
1+ (cos
y/cos y')
{exp(+^f/cos y')- exp(-|uf/cos y)}
(4)
Here
cos
y'=-cos y cos 26+ sin y
sin
2d sin
8,
with y and S measured as shown in Fig. 5.1.11(2).

If the specimen is effectively infinitely thick, i.e.
fit>3, exp(-^)<0-05, then
D/fx=l + (cos y/cos
if
y')
Values of D/fi for the equatorially reflected ray, for
which cos y'= -cos (26+ |y|), are given in Table
5.
Fig. 5.1.11(2).
IB.
I,
incident
Definition of angles in reflection case.
beam; R,
reflected
beam; N,
sheet normal.
TABLE 5.1B
Intensity Correction Factors for Equatorial
COS
/>//*=!-
Rays
|y|
reflected
from a Thick Specimen (pt>3)
(see 5.1.II.2)
cos (26+ \y I)
\^
y
35
40
45
50
55
60
65
70
80
3-98
200
1-34
200
10
15
20
25
30
85
75
10-42
5-40
5-86
2-97
200
1-51
1-21
115
112
111
7-60
3-87
2-63
200
1-61
1-35
9-13
4-68
3-22
2-46
200
1-68
1-45
1-27
3-73
2-88
2-36
200
1-74
1-53
1-37
1-23
316
5.1.
[1]
Astbury, N.
F.,
[3]
[4]
[5]
[6]
De Barr,
A. E. Sheet Metal
Barrett, C. S. Structure of Metals. Chap. 9.

Barrett, C. S., Graham, C. D., and Lommel, J. M.
Acta Metallurgy 7, 699, 1959.
Beatty, S. V. D. J. Appl. Phys., 21, 940, 1950.
Blake, L. R. Brit. J. Appl. Phys., 5, 99, 1954.
Chernock, W. P., and Beck, P. A. J. Appl. Phys.,
[7]
[9]
Custers,
J.
F.
H. Physica,
F.,
and James,
J.
A.
/. Sci. Instr., 30, 77,
[18]
Norton,
J.
T. /. Appl. Phys., 19, 1176, 1948.
H. S., Rooksby, H. P., and Wilson, A. J. C.

X-ray Diffraction by Polycrystalline Materials,
Chap. 12. (The Institute of Physics, London,
[19] Peiser,
[22]
[23]
Asp, E. T., and Harker, D.
J.
Appl.
Ibid., 20, 741,
[25]
[13]
A. H. Rev. Sci. Instr., 25, 727, 1954.

Glocker, R. Materialpriifung mit Rontgenstrahlen,
[14]
Guinier, A. Theorie et Technique de
[15]
Guinier, A., and Tennevin,
[12] Geisler,
(Dunod,
[27]
1948.
317
Ill, p.
314 (Springer, Berlin, 1955).
Taylor, A. J. Sci. Instr., 25, 301, 1948.

Wever, F. Mitt. K. Wilh. Inst. Eisenforsch.,
5, 69,
1924.
[28]
Rev. Metall. 45, 277,
Sohon, F. W. The Stereographic Projection. (The

Chemical Publishing Co., Brooklyn, N. Y., 1941).
Stuart, H. A. Die Physik der Hochpolymeren,
Vol.
[26]
la Radiocrystallo-
Paris, 1956).
J.
Schulz, L. G., /. Appl. Phys., 20, 1030, 1033, 1949.

Smoluchowski, R., and Turner, R. W. Rev. Sci.
Instr., 20, 173, 1949.
[24]
M., and Merchant, M. E.
graphie, Chap. 7
J.,
1957.
Inst.,
1949.
p. 330.
Milner, C.
1953.
1951
Phys., 19, 388, 1948.

[11] Field,
[17]
Pursey, H., and Cox, H. L. Phil. Mag., 45, 295, 1954.

[21] Rieck, G. D. Philips Research Reports, 12, 423,
'sGrav., 14, 453, 471, 1948.
De Barr, A. E. Sheet Metal Industries, 28, 603,

De Barr, A. E., and Roberts, B. J. Iron Stl.
Decker, B.
The Interpretation of X-ray Diffraction Photographs, Chap. 9. (Macmillan, London, 1951).
[20]
164, 285, 1950.

[10]
Henry, N. F. M., Lipson, H., and Wooster, W. A.
1955).
23, 341, 1952.
[8]
[16]
25,911, 1948.
Industries,
[2]
and
References
Wooster, W. A.
J. Sci. Instr., 25, 129, 1948.
Textbook on Crystal Physics.

Press, Cambridge, 1949).
[29] Idem.
(University
5.2.
Symbols used
Particle Sizes and their Statistics from Debye-Scherrer Lines
in the text
intensity at position
I(x)
scattering angle.
Bragg angle.
wavelength in A.
A
(hkl)
reflecting plane.
{hkl}
form of planes.
It
L= jM
).
ds
M
L
shape factor= Vi/L.d.
X
y
Here h
M.
N N b, N
where
a, b, c are not necessarily

the conventional unit-cell vectors, but are the unit
translation vectors parallel to the edges JVâ, etc. of
cal to
x 2l,
s c,
the crystal (assumed to be a parallelepiped). E.g.,

cubic crystals may grow as needles elongated on [1 1 1]
ref. [12]. In the case of orthogonal edges the approxi-
Line Breadth and Particle Size
is
(5)
equivalent to the substitution of an
ellipsoid for a parallelepiped [10] [17].
Crystallites of dimensions less than, say, 5 microns

produce broadening of Debye-Scherrer lines. They
are here assumed to be perfect and randomly oriented.
Any imperfections, such as strains, will contribute
further line-broadening which could give rise to errors
Exact values of
L=M /M have been calculated

2
[10]
polyhedra of the cubic system. In

the values of the shapefactor K[20] are given.
[20] for different
Table
5.2.
TABLE
The Shape Factor
K= Vi/L.d, where
in particle-size estimation.
K in
V is
5.2.1
Crystals of the Cubic System
the
volume of the polyhedron
Definition of Line Breadth
Although the half-width of a

intensity
is
half
its
maximum
maximum
line
value)
easily than the integral breadth
Reflection
Tetrahedron
Cube
Octahedron
100
110
1-0000
1-0607
1-1547
1-1006
111
1-3867
0-9806
1-2009
210
1-2403
211
1-1323
1-0733
1-1527
(1)
221
1-1556
1-1429
1-1185
given by
310
1-3156
1-0672
1-1138
311
1-2543
11359
1-1211
(width where the

is
measured more
B (integrated intensity/
intensity), the latter definition is generally
it can be related to fundamental

dimensions of the diffracting mass.
preferred because
B=jl(x)dx/Im *x
The
... .(5)
the reciprocal vector corresponding to the

a*/^, b*/N2 c*/N3 are vectors recipro-
is
reflection hkl;
=ay.
5.2.1.1.
dv=Md.ds.
Considerable work has been done in relating the

observed size Ld to particular crystal shapes [10] [15]
[16] [17] [20] [23] with the very special assumption of
identical (randomly oriented) crystallites. Replacing
the true line profile (equation (9)) by a Gaussian curve,
one obtains [15] [23]
mation
5.2.1.
is
(4)
Shape of Crystallites
5.2.1.3.
conditions.
.... (3)*
equivalent normals to the planes of the form {hkl}.

An equivalent expression is [20]
where the volume element
Fouriertransform of the line profile I(X).

=t(m)/M.
=ax, where a=(d cos 6 )/X.
angular aberration, produced by instrumental
h(m)
\Mds=W-\M
Ld=\h\/[(h.a*INiy+(b-t>*/N2y+(h.c*INa) 2 ]i
distribution function of the diameters
t(m)
that
L=\Mdv\\dv
volume element.
volume of polyhedron.
g(M)
ds/
[5] [8] [22]
in (3) are taken not only over all the

diffracting mass, but also over the multiplicity of the
dv
The averages
length in units of d, of a vector normal to the

plane (hkl).
multiplicity of {hkl}.
interplanar spacing of (hkl) in A.
element of area in plane (hkl).
particle diameter, in units of d, normal to ds.
averaged particle dimension, in units of d,
normal to {hkl} (averaging defined in 5.2.1.2).
p
d
has been shown [10]
in diffraction line.
angular variable 2(6
26
Definition of Particle Size
5.2.1.2.
integral breadth of diffraction line, in radians.
integral breadth
due to the
particle size
is
the Scherrer formula [19] [11]
B=\/(L.d cos 6
For
B cos 6JX
shape #=1-0747 for every
* This result follows from the theorem [5] [8] that polycrystalline powders behave like an assemblage of independent
the
linear gratings (23). In a linear grating of total length
integrated and maximum intensities are respectively propor-
particle size only,
should be constant for successive orders of
reflection hkl; 2h,2k,2l;
crystals of spherical
reflection.
radians.)
due to
1-1061
....(2)
(Example: A=l-54 A; cos o =O-9. If L.d varies from

40 A to 2000 A, B varies from 42-8. 10- 3 to 0-85.10- 3
If there is line-broadening
1-0376
1-1438
1-1075
nh,nk,nl.
tional to
318
M and to M
2
.
PARTICLE SIZES AND THEIR STATISTICS FROM DEBYE-SCHERRER LINES
5.2.
of these correction curves z=y/{z xz 2) has been proposed [21].

(c) Other Approximations are considered in [6] [7] [14].
shapes have been experimentally deterin the case of marked anisotropics, such as
plates or needles of definite orientation with respect to
the crystal axes [12] [13].
Factors which largely smooth out the calculated
Particle
mined only
Ld
(6r
The Doublet Correction

Having chosen a well-resolved Kx 1 line of breadth
the corresponding Koc 2 line (Ka Ka 2 intensity
5.2.1.4.2.
K)
for different lines are [5] [8]

the statistical size distribution in the real powder and
2
and
are also taken
the fact that the averages of
final
over the multiplicity of/? equivalent normals.
differences of
ratio =2
1) is
^ o =tan0{A(ai)-A(a 2)}/A(oE)
limitation to the determination of a preferential shape
of the two lines being varied. For each separation v

the breadth of the resulting compound line B is determined. The plot ofBJB versus yJB serves as a correction curve in which B and B are taken as the observed
and corrected line breadths respectively [14] [7]. The
doublet correction must be applied before using
methods 5.2.1.4.1(a), (b) and (c), which are based on
the assumption of a symmetrical distribution.
The doublet correction may be avoided by Guinier
the precision with which B (equation (2)) may be

determined after corrections have been applied.
is
5.2.1.4. Methods
Breadth
Many
of
Correction
different factors
produce
the
of
line
Their detailed discussion is given under

correction methods are presented here.
Line
broadening.
5.2.3.3.
Usual
The theoretical intensity, due to the particle size,

Ith (x), is related to the observed intensity Iobs (x) by the
operation of folding or convolution with an instrumental broadening function G(y) [14]
IoM=iUx-y)G(y)dy
5.2.1.4.1.
monochromator techniques [18] [9]. (See also correction by Fourier methods without the help of reference
lines
....(6)
may be obtained directly by Fourier

Fourier analysis also relates the line
profile and the statistics of particle sizes.
line profile
methods.
5.2.2.
The Line Profile
5.2.2.1.
1
Analytical Expression
Using Ewald's shape function [27] it can be shown

[10] [5] [8] that the intensity due to particle size in a
Debye-Scherrer
IM)=G(x)
Let Bobs , B th and b be the integral breadths of the
observed, theoretical and reference lines. We can
construct a correction curve [14]
Here
line is
sin 2 7tMX/(ttX) 2
proportional to
is
the well-known
intensity
Table 5. 3. 2 A) g(M)dM
is the number of diameters between
and M+dM,
g(M) being the distribution function of diameters
function of a linear grating
u=b/Bobs
The Gaussian Error Function Approximation
(a)
5.2.2.3.3(a).)
Line Profiles and Particle Size Statistics
The
G(y) is determined from a reference line, that is, a

Debye-Scherrer line produced by particles of the same
chemical nature and under the same experimental
conditions as the powder under study, but without
broadening due to particle size. If /,(*) is the intensity
of the reference line, produced by practically infinite
particles, then [14]
versus
under
5.2.2.
Reference Methods
z=B th /Bobs
drawn, the separation
normal to the
I h(x) and G(x) are approximated by Gaussian

Then I bs(x) is also Gaussian and we
(cf.
reflecting plane.
functions [24].
5.2.2.1.2.
find
B\ bs =B* th +b*
The
(b)
correction curve zx (w)
is
an arc of a
....(7)
= KM- \m\)g(M)dM
t(m)
may be
.... (10)
interpreted geometrically. If
the area of the projection of the diffracting
It h(x) and G(x) are approximated by Lorentz funcThen Iobs (x) is a similar function and we
to the reflecting plane, then S.d.t(m)
tions [14].
common part of the
is
denotes
volume on
equal to the
volume
and the same volume displaced by m interplanar
distances d along the normal to (hkl) [8] [20]. t(m) is
intersection or
find
....(8)
The
diffracting
a symmetrical function.
We only consider the w-positive branch. t(m) then
decreases monotonously without any inflexion point.
Thus t(m) is always above the tangent drawn to it at
correction curve z 2 (u) is a straight line.

Experimental evidence shows the true correction
curve to be between the circle and the straight line, so
that particle sizes determined from (7) or (8) are
respectively too small or too big.
Profile
is
t(m)= $Ith (X) exp(-27rimX)dX
circle.
The Lorentz Function Approximation
Bobs =Bth +b
The Fourier Transform of the Line
The Fourier transform of Ith (X)
m=0.
The geometric mean

319
PARTICLE SIZES AND THEIR STATISTICS FROM DEB YE-SCHERRER LINES
5.2.
Particle Size Statistics
5.2.2.2.
[8]
The tangent
to t(m) at
It
m-
cuts the
m=0 is
(11)
q(m) = t(m)m
m=M.
axis in
Statistics [26]
can be shown from formulae (18) and (10) that

the fraction of volumes for which the crystal diameter
is greater than m is given by
It
d(m)=Mm
and
Volume
5.2.2.2.4.
[25] [28]
Diameter Averages
5.2.2.2.1.
dt{m)
.(19)
dm
can be proved that
t(0)=M
5.2.2.2.5.
Diameter-distribution Function
The most important
result of the theory of line

broadening is that the distribution function of diameters
is given by the second derivative of t(m)
t(m)dm=M 2
.(12)
00
d 2 t(m)
-=g(M)
\m n \t(m)dm=2M n+2 /(n+l)(n+2)
As a
shows h(m)=t(m)/M in terms of m.)
(Fig. 5.2
result of Fourier theory, the distribution func-
tion
g(M )
[8],
that
constant
Deviations and Variances
5.2.2.2.2.
The
is
The
= \M-M\
<M)
]Ith n {X)dX=\
=(M-M)
distinguish
M>M
....(21)
=M
The Fourier transform of
-(Af) 2
.(14)
the normalized intensity
We have
function will be called h(m).
equal to twice the area between t(m) (positive

branch) and d(m) (cf. Fig. 5.2, twice the area ACDB).
One may
is
for diameters
From a practical point of view it is convenient to

use normalized intensities Ith n {X) so that
(13)
by
variance defined
CX I(X)
X The
5.2.2.2.6. Scaling
given by
\e\
also the Fourier transform of

of the intensity multiplied by
is chosen so that \g(M)dM=\.
is
is,
[8]
from the mean diameter
absolute deviation
.(20)
dm''
(see Fig. 5.2)
/z(0)=l
h(m)
an excess variance e + 2 defined
is
....(22)
proportional to t(m)
h{m) = t (m)/t(0) = t(m)/M
.... (23)
00
-/(AT- M) 2g(M)dM=2
M
e + 2 is
\t(m)dm
100
h(m)
(15)
l'
equal to twice the area under t(m) to the right of

the ordinate
(Fig. 5.2 twice the area BCD).
m=M
The
0-75
defect variance e_ 2 will be similarly
cJ= [{M-M) g{M)dM=2 ([t(m)-d(m)]dm

2
(twice the area
to
M,
distribution
=e_
0-50
ABC). Necessarily
e
For a
....(16)
a\
=e + a +_ 2
which
is
....(17)
\\
symmetrical with respect
\\
0-25
of Diameters between m and m'

The fraction of diameters between m and m'
5.2.2.2.3. Fraction
equal to the difference
dt(m)
dm
dt(m)
dt(m')
dm
dm
We have
= - \g(M)dM=-l+
(g(M)dM=-l+h\g(M)dM
\i
is
20
D
40
60
Fig. 5.2. The Fourier transform h{m) of the normalized

intensity function._The tangent to h(m) at^/w=0 cuts
(18)
the m-axis at
the area
320
m=M.
ABDC.
The variance
M -(M)
2
is
twice
5.2.
Methods of correcting the Line

5.2.3.1. Direct Methods
Profile
5.2.3.
The integral in .equation (6) may be replaced by a

summation with fixed intervals. Equation (6) is written
down for each interval and Ith (X) is calculated by
successive approximations from the system of linear
equations
metrical broadening implies a line shift and h q (m) is

then a complex function (due to the doublet Koc x a 2 ,
absorption, divergence, height of the counter slit and
of the source, etc.). The advantage of expression (28)
each function h q (m) may be

separately. This is carried out as follows.
[34].
(a)
Fourier Methods
5.2.3.2.
bM=h
ih (m)h
.... (24)
n (m)
h ois (m) and hîm) are calculated from experimental
observations [37] and are generally complex functions.
The
reality of h th {m) implies [31] that
hoUm)
h th (m)=-
(25)
One has
w)]=Fourier transform of \I{X}-l(-X)\\2\
[/i(
....(26)
may
be obtained from the

Fourier transforms of the symmetrical parts of the
observed and of the reference lines, that is from the
cosine transforms, provided that the origins are
identical for the observed and reference lines. According to (25), the ratios of the real and imaginary parts
of h obs (m) and h^Qn) should be equal.
(25)
shows that h th (m)
detailed analysis
is
is
=^
Fourier
its
.... (29)
={A(a 2)-A(ai)}/A(a)
the interference order,
separation tan
o {A(<x 2
is
.... (30)
the classical doublet
)- A(a x)}/A(a). The Fourier trans-
(29) is
.(31)
h Jrn)=h th {m) (1+* exp 2mmY^
from which h th (m) may be calculated. We have
.... (32)
h^m) doublet=%(\ +exp lirim Y )
.
correction can be avoided
by the use of
the Guinier monochromator [18] [9].

From the angular
(ii) The Dispersion Correction.
aberration 2(0- O) due to a variation A-A of the
we
wavelength
find
r=(A-A
The
dispersion curve
the Lorentz type
is,
to a
....(33)
)/A
good approximation, of
/3 (A-A )=[1+(A-A
) /h'
2 ]- 1
-(34)
the half-width of the spectral line. Values

of 2w are tabulated [33]. The Fourier transform of
Iq ( Y) is the exponentially decreasing function
where
Line-broadening
Detailed Analysis of
Factors [6] [7] [29] [30] [31]
5.2.3.3.
IoUX)=%UX)+iUX+ Y )
Here
The doublet
0t [fc(/n)]=Fourier transform of [I(X)+I(-X)]/2\
the Doublet Kol x cl 2
We find
form of
S[h obs (m)]
3?[h i>s(m)]_
Sihnim)]
hnim) [Aoo(/w)]
denote real and imaginary parts of a
Here St and
function.
The Correction of
analysis permits the resolution of a doublet into

components without the help of a reference line.
lines the relation holds that
OPTICAL CORRECTIONS
(i)
Between the Fourier transforms of the normalized

intensities of the observed, theoretical and reference
evaluated
that
is
is
h 2 (m) dispersion=exp ( 27rH>|m|/A
(35)
dispersion correction can be avoided by achro-
The
essential for the recognition
of the importance of each broadening factor and for

the improvement of experimental conditions.
The analysis is based on the following generalization
matic devices [35]
of equation
Geometrical corrections will be discussed in connection with the usual parafocusing arrangement [32] in
which the sample is a plane pellet. The following
abbreviations will be used:
(b)
(6)
-YMYMYJ
IcsWîltniX-Y.-Y,
Ip (Yp)dY1 dY2
where each IQ (Yq) (g=\, 2,
p) is
.
dYp
....(27)
a line-broadening
discussion
function due to only one specific cause.
of (27) is found in [29]. The Fourier method will be
discussed here [6] [7] [30] [31]. The following relation
holds for corresponding Fourier transforms
.
[36].
GEOMETRICAL CORRECTIONS
Aon('w)=A**('w)A 1 (/w)A 2 (/n)
h v (m)
/= distance sample to source.
r= distance sample
to film or to counter slit,

a = angle of the incident beam with the plane of the
sample.
j8= angle of the diffracted beam with the plane of the
sample.
.(28)
An
easy error calculation shows that experimental

conditions should tend to have h q (m)=\ everywhere.
In general, however, the functions h q {m) are decreasing
from the initial value h q (0)=l. Y is related to the
(a+=20 o
sin a/sin j8=//r; if l=r,
a=jS=0 o .)
Width of the Source

h 3 (m) =sin 7tu/(ttu) for a uniform intensity distribution
... .(36)
of angular width F
(/)
angular aberration y as A' is related to x (see definitions

of symbols).
If the line broadening produced by Yq is symmetrical
(due to the width of the counter slit, width of the
source, dispersion), h g (m) is a real function. Asym-
h 3 (m)=exp
integral
- ttu 2 for a gaussian intensity distribution of
width
u=2mFd cos
321
6 /X
(37)
....(38)
5.2.
Width of the Counter (or Photometer)

/j (m)=sin ttuI(ttu),
u as in (38)
4
(ii)
TABLE
Slit.
5.2.3
Fresnel Integrals
.(39)
V
Absorption
(Hi)
/i
Values of (v)/v and
....(40)
1A=2irmn cos
6 Q/\ji(l+r)]
B=tix(\ +///) tan 6 /(n sin a)
C=2irmt
ft is
00
.... (41)
0-2
sin 26 Q/(r sin a)
0-4
the absorption coefficient of the sample and t its

For highly absorbing samples the exponen-
0-6
thickness.
tials in (40) practically
0-8
1-0
Horizontal and Vertical Divergence, Height of the

Source and of the Counter Slit.
1-4
1-6
For these
1-8
are respectively h 9 (m), h 7 (m), h %(m), h 9 (m).

effects the angular aberration has the form
....(42)
where e and y are defined below for each
K
(v)=
y\
7. s, 9,
case.
The
(m)=[(v)+^(v)]/v
cos û 2du;
-q(y)=
sin
3-0
.(43)
(v)
^w 2du
2
0-202
0-124
50
0112
O/A)
eH =(l/r+r/l+2 cos 20 o)/sin 20 o
aberration
.(45)
0-510
0-399
0-251
0-172
0-248
0-165
0-106
0-113
correction factor
ey=(l/r+Kl +l
Jr )
is
h 7 (m)
cot 6
is
by an angle a
....(49)
given by (46), y max
The corresponding
is
the half-angle of
factor
h 10 (m)=cos (2.7rmey maiXd cos 6
.... (46)
(vi)
Correction of Origin
is
/X)
(50)
[6] [7]
An
angular error e in the position of the origin of the

Debye-Scherrer line gives rise to a factor
.... (47)
/i
u (m)=exp Qmemdcos
6JX)
(51)
5.2.4.
Horizontal and Vertical Divergence. y max is the halfangle of aperture of the divergence cone. In the case
of l=r, the correction function is, to a first approximation, the product h 6 (m)h 7 (m).
Height of the Source. The correction factor is
h 8 (m) with
Ym*x=H/r;
differs
focalization, the angular
roughly
is
divergence.
(43) with
cos 20 o)/sin 29
we have e#=2e F =2
of the sample
y=ey m&x <r

where e
Vertical Divergence (Horizontal divergence negli-
Here
0-438
0-520
Correction of Orientation
from the exact angle a of
Numerical values of (v)/v and of ^(v)/v are given in

Table 5.2.3.
Horizontal Divergence (Vertical divergence negligible). y max is the half-angle of divergence in radians.
The correction factor is h 6 (m) (43) with
/=--/,
fi
.(44)
v=2y max V(<?M^cos
If
0-000
0-021
0-084
0-184
0-312
are the Fresnel functions
The
1-000
0-999
0-994
0-969
0-904
4-0
If the orientation
gible).
v(y)/v
0-244
0-183
2-5
corresponding h(m) are of the form
and
v)/v
0-228
0-187
2-0
y=ey*
r)(v)/v
0-780
0-596
0-388
1-2
correction factors for the above-named effects
Here
sin ?-u 2du
vanish.
(iv)
The
7)(V)
v)=
(m)=(l+^)- 1 [l-exp {-(j9+/C)}]/[l-exp (-)]

2
cos -u 2 du
*O0-
The weight function IQ ( Y) may be written in the form

of the ordinary absorption factor [6] [7] exp(-& Y),
and the Fourier transform then gives
<?=Jcot20 o
[18]
It
The
Effect of Finite
Summation
[31]
can be shown that

h
where
Um)=Sh th (m')D(m-m')dm'
gobs (m)=lg(m')D(m-m')dm'
D(m)=sin 2-nXxm\{Trm)
.(52)
.... (53)
(54)
-X <X<+X
Debye-Scherrer
1
1 are the limits of the
used in the summation to obtain the Fourier
transform. The error of finite summation is un-
....(48)
line
is half the total height of the source.

Height of the Counter Slit. The correction factor is
h 9(m) (43), notations as under (48), #is half the height
of the slit.
avoidable.
To obtain reliable results it is recommended
that intensity measurements should be extended as

far as possible from the centre of the line.
322
5.2.
References
General
[1]
[19]
Guinier, A. Theorie et Technique de
(Dunod, Paris, 1956).

and Alexander, L. E. X-ray Diffraction Procedures. (Wiley, New York, 1954).
Peiser, H. S., Rooksby, H. P., and Wilson, A. J. C.
X-ray Diffraction by Polycrystalline Materials.
(The Institute of Physics, London, 1955.)
Wilson, A. J. C. X-ray Optics. (Methuen, London,
graphie.
[2]
[3]
[4]
Klug, H.
[21]
P.,
1949).
Scherrer, P. Gotting. Nachr., 2, 98, 1918.

A. R., and Wilson, A. J. C. Proc. Camb.
Phil. Soc, 38, 313, 1942'; 40, 197, 1944.
Taylor, A. /. Sci. Instr., 18, 90, 1941.
Waller^ I. Nova Acta Reg. Soc. Uppsala, (4), 11,
[20] Stokes,
la Radiocristallo-
[22]
[23]
[24]
No. 7, 1940.
Warren, B. E. Z. Kristallogr., 99, 448, 1938.
Warren, B. E., and Biscoe, J. J. Amer. Ceram. Soc,
21, 49, 1938.
New edition in preparation.

5.2.2
[25]
Special
[26]
5.2.1
[5]
Bertaut, E. F. C.R. Acad.
[6]
Idem. Thesis (Grenoble, 1949).

Idem. Bull. Soc. franc. Miner. Crist., 75, 527, 1952;
[7]
76,
[8]
[9]
[10]
1,
Sci., Paris, 12&, 187, 1949.
[27]
[28]
21, 595, 1950.
1953.
Idem. Acta Cryst.,
3, 14, 1950.
Blum, P., and Durif, A.

Bouman, J., and Wolff,
5.2.3
Ibid., 9, 829, 1956.
P.
M. de
Physica, 9, 833,
[29]
1942.
[11]
[30]
Bragg, W. L. The Crystalline

(Bell, London, 1919).
State, Vol.
I,
R. Z. Kristallogr., 75, 217, 1930.

Hengstenberg, J., and Mark, H. Ibid., 69, 271,
[13]
[33]
1929.
W.
/.
Appl. Phys., 25, 155, 1954.

Sci., Paris, 228, 1597,
C.R. Acad.
Acta Cryst., 5, 117, 1952.

Brentano, J. C. M. Proc. Phys. Soc, 49, 61, 1937.
Theory and Experiment, p. 740 (Van Nostrand,
New York, 1960).
Paterson, M. S. Proc Phys. Soc, A63, 477, 1950.
[31] Idem.
[32]
Proc. Roy. Soc, A166, 16, 1938.
von Laue, M. Z.
Kristallogr., 64, 115, 1926 (cf. [14]).

Ann. Phys. Lpz., 26, 55, 1936.
[17] Patterson, A. L. Phys. Rev., 56, 972, 978, 1939.
[18] Rose, A. J. Thesis, Paris, 1948; Bull. Soc. franc.
Miner. Crist., 71, 15, 1948.
[15]
Alexander, L.
Bertaut, E. F.
1949.
p. 189.
[12] Brill,
[14] Jones, F.
Bertaut, E. F. C.R. Acad. Sci., Paris, 228, 492, 1949.

Drenck, K. Third Intern. Conf. Crystallography,
Paris; Acta Cryst., 7, 621, 1954.
Ewald, P. P. Proc. Phys. Soc, 52, 167, 1940.
Warren, B. E., and Averbach, B. L. /. Appl. Phys.,
[34]
[35] Sebilleau, F.
[16] Idem.
[36] Siegel, S.,
Thesis, (Paris, 1956).
and Ekstein, H. Phys.
Rev., 73, 1207,
1948.
[37] Stokes,
323
A. R. Proc. Phys. Soc, 61, 382, 1948.
5.3. Small-angle Scattering
Symbols used
TABLE
in the text
volume occupied by matter.
fraction of the
sin7rx
and
D(s) inertial distance, relative to the plane defined by
S and
/
TTX
lc
number of electrons
number of particles
N
Rq
total surface area
specimen,
S,
0-0
(S-S
) /A;
difference of electron density between particle
particle,
0-9
= V /N.
1-9
-0-089
-0-156
-0-198
-0-216
-0-212
-0-189
-0-151
-0-104
-0-052
2-0
0000
2-2
0-085
0-126
0-116
0-067
1-2
an
1-3
ellipsoid of revolution.
1-4
Scattering at a small angle to the direct

is
beam occurs
composed of particles of diameter
than several thousand

the electron density
1-5
less
1-6
A or if it contains variations in
1-7
on that
scale.
For proofs of formulae given below
1-8
see
[7].
Order of Magnitude of the Extension of the
5.3.1.
Small-angle Diffuse Scattering
2-4
The scattering power of a particle is equal to that of

the number of free, unbound electrons which, all other
things being equal, would give the same scattered
intensity as that observed from the particle. It is given
by n 2 for 0=0, where n is the number of electrons in
increases, the scattered intensity
the particle. As
2-6
2-8
0-039
0-047
0-045
0-036
0-023
0-011
0-003
0-000
0-007
0-016
0-014
0-004
0-000
0-008
4-0
4-5
0-071
0-005
5-0
0-000
5-5
-0-053
0000
0003
6-0
0000
0-000
3-5
it
1-000
0-968
0-000
-0-091
0-000
3-0
approaches zero as the phase difference

between the most widely separated atoms of the particle becomes of the order of 2tt. Hence the limiting
angle 6m of the small-angle diffuse scattering is
approximately
decreases;
0-008
0-024
0-8
and surrounding medium.
the sample
*x
0000
0-7
volume of the particle.

volume of the sample.
average volume available per
ratio of the axes of
0000
0-6
(s=26/X).
V
V
Vx
scattering angle.
/sin 7tx\
1-1
0-4
and incident
0-5
sin77\x:
1-0
0-3
20
Section 8.2.
0-875
0-737
0-573
0-405
0-255
0-135
0-055
0-012
0-2
of all the particles in a porous
=SN.
vector equal to
II,
1-000
0-984
0-935
0-858
0-757
0-637
0-505
0-368
0-234
0-109
0-1
beams,
if
jc.
in the sample.
unit vectors along the diffracted
TTX
TTX
in the particle.
radius of gyration.
surface area of a particle.
S
S
5.3.2A
'-
as functions of
\
See also Vol.
[11].
vx \
s.
scattering power.
average diameter of the particle.
"distance of heterogeneity," as defined by Porod
/ sin
0000
or that it contains fluctuations in the electron density

of short period only. If the particle is immersed in a
continuous medium, the effective electron density p of
P,
where D is the largest particle diameter. This rather

rough estimate is useful for predicting the experimental conditions necessary for a given problem.
the particle, for scattering purposes, is the difference

between its density and that of the medium.
The form factor [3] of the particle is the function
ct(x), which is unity inside the particle and zero elsepoint in reciprocal space defined by the
where.
Single Homogeneous Particle

General Formula for Scattering Power
Let a stationary particle be irradiated by a beam
5.3.2.
5.3.2.1.
s=(S-S
)/A (for very small angles, |s|=.s=20/A)

corresponds to a scattering power
vector
of monochromatic radiation of wavelength A. We

assume that the particle has a uniform electron density
7(s)=p2|Z(s)|2
324
....(2)
5.3.
TABLE 5.3.2B
sin x x cos x
.,
x
#(*)=3
and
(0 For a rectangular parallelepiped of sides

containing n electrons:
&, 29/(x)
.
x*
as functions of
5.3.2.2.
,sin 2 (Trs.a)
7(s)=
(TTS.a)
0(X)
<*>
sin 2 (tts.d)
(tts.d)
(tts.c)
(tts.c)
(3)
R containing n electrons:
For a sphere of radius
(k)
sin 2
a, b, c,
(jc)
sin 2ttsR2ttsR cos 2ttsR)~\ z
0000
1-000
1-000
0-999
0-996
0-991
0-983
0-975
0-964
0-952
0-937
0-921
0-903
0-863
0-816
0-766
0-702
0-654
0-622
0-575
0-499
0-346
0-288
0-205
0-0875
0-100
0-200
0-300
0-400
0-500
0-600
0-700
0-800
0-900
1000
1-200
1-400
1-600
1-800
2-000
2-100
2-250
2-500
3-000
3-200
3-500
4-000
4-493
5-800
6-000
7-300
7-720
{IttsRY
"J
73/2 (27r^)
_
The function
0-968
(iTTsRyi*
-|
=n*$\2TTsR)
tan
0-930
0-906
0-879
0-849
0-816
0-745
becomes zero for
2TTS min R=2'iTS
K is
where
The
....(4)
0-951
TI
*R
or
s min
R^
2K+1
(2#+1)tt 2
a positive non-zero integer.
central diffuse spot
whose maxima are
at
is
surrounded by rings
distances s max
K 3
R~,
2Ktt
2
2
is a positive integer greater than unity.
where
Their intensities are given by
0-668
0-587
0-502
0-427
0-388
0-330
0-248
(Hi) Approximate Exponential Formula [5]. In the

neighbourhood of the centre, the scattered intensity
may, to a good approximation, be represented by
0119
0-083
7(s)
0-042
0-0076
00000
5-600
5-760
= 2 [L^
0-998
0-992
0-982
D(s)
is
= 2 exp
(-477 2j 2 i) 2 (s))
.... (5)
the inertial distance of the particle with respect

tt(s) passing through its centre of gravity
to the plane
00000
-0-0570
-0-0850
-0-0863
-0-0860
-0-0843
-0-0230
-0-0000
5000
I( S )
and normal to the plane (S
0-00325
0-00722
0-00745
0-00740
0-00710
0-00053
0-00000
D
dK
is
(s>
s),
5.3.3.
defined by
is
the distance to the plane
of scattering factor fK
D(s)
7r(s)
from the
A^th
atom
Spherically-symmetrical Heterogeneous
Particle
The
electron density p is a function only of the

from the centre of the particle
distance r
where 2(s)
is the Fourier transform of

the following properties
1.
2(0) =F,
volume
the
2
/(0) =/0 2F =
of the
<j(x).
particle.
7W-[[*)2^.4^T
S(s) has
In this case
Hence
is
possible to deduce p(r)
from the
intensity observed in the central diffuse spot.
One
2.
it
.(6)
obtains by Fourier inversion of (6)
centrosymmetric, no matter what the shape

of the particle. It is more extended in a given
direction, the smaller the particle diameter in that
|2(s)| is
oo
p (f)=- (s[I(s)]* sin 2-nsrds
.... (7)
direction.
the sign of
3.
The width of
the central diffuse peak
may be
expressed by (J|S(s)|Ws)/|S(0)| 2 , where dVs

a volume element in s-space. It is equal to l/V.
[/($)]*
being taken as positive as long as the
from the central spot. If

around the central spot, then by
intensity decreases steadily
there are diffuse rings
is
convention
325
[/(.s)]* is
taken alternately
+-+-
etc.
5.3.
A Low-density Group of Identical Randomly

Oriented Particles
5.3.4.
The particles are sufficiently irregularly disposed and

from each other that all interparticle interference
be neglected. The scattering power per particle
then the average I(s) of the scattering power from a
far
may derive (i) a mean value of the

a value of the external surface area
of one particle, which in many cases is given directly
by the relation (12) without making use of y (r).
(1 1)
show
that one
diameter and
(ii)
may
is
5.3.4.2.
single particle, the average being taken over all possible
has been calculated for a certain number of
I(s)
orientations with equal probability.
particle shapes.
The
(1) Spheres.
5.3.4.1.
General Formula
[11] [12]
(formula
result has
already been given
in this case
(4)), since
00
I(s)=I(s)=n 2 0\27TsR)
..(8)
o
(r),
(2) Ellipsoids
the characteristic function
of the
defined in the following way [16]. Let the particle of

volume Fbe subjected to a translation r.
consider
the volume V(r) common to the particle both before
We
and
after translation.
V(t)/V, as r takes
on
(r) is
From
that
it is
its definition, it is
0+t 2
sin2 0)] cos Odd
.... (14)
Cylinders of revolution of diameter
2R and
the average of the ratio
changing its length.

y (r) has the following properties:
1.
7(s)= 2 (& 2 [2TTsaV(cos 2
possible orientations without
all
of revolution of axes 2a, 2a, 2ra\
particle, is
y (0)=l and
becomes zero when
clear that
decreases as r increases. It
greater than the maximum particle diameter.
it
(3)
height
2H
/2
2
rsin
(27r5i7cos0)
2
I(s)=n
K)
2
47rV#
cos 2
J
AJ^-nsR
sin 0)
L
-i:
4n*s*R* sin 2
OM
sin add
....(15)
(see Tables 5.3.2A
4nr*y (r)dr= V=^-
-?/sH(s)ds
2.
(4) Fibres
00
00
r ^sKs)ds
^Yo(r)drJ
3.
and
5.3.4B).
(9)
of length
2H and extremely small radius
M^-t^]
.(10)
M>
x
/ is
the average of the diameters
point within the particle in
drawn through every
where Si(x)=
all directions.
dt.
(See Table 5.3.4A.)
=_A
?\
4.
\dr) r=0
4V
.(11)
TABLE
being the surface area of the particle. This relation

is a consequence of the fact that s*I(s) must tend
toward a constant limiting value
.,
Si(2x)
i(x)=
sin 2
a:
5.3.4A
,
where Si(x)=
X'
JC
fsin t,
~~Tdt*
o
4
limj /(5)=-^-5
as a function of x (radians)
....(12)
as s increases.
By Fourier
function y
(r)
X
one obtains the characteristic
from the measured intensity
Yo(r)=-^r
is
the
JC
0-0
1-000
1-6
0-2
0-996
0-984
0-961
0-931
0-898
0-858
0-813
1-8
0-4
sl(s) sin 2-nrsds
.(13)
0-6
This
i(x)
i(x)
inversion,
maximum information to be
0-8
1-0
obtained from
1-2
Evidently y (r) is hardly a complete description of

the size and shape of the particle. Relations (10) and
1-4
326
2-0
2-2
2-4
30
3-5
4-0
0-768
0-719
0-673
0-627
0-583
0-473
0-406
0-357
5.3.
(5) Flat discs
ness
of diameter
2R and
Radius of Gyration for some Simple Solids
very small thick-
Radius of
shaPe
]-ni-L-\lJ&!!*EL\
w 47rVi? 2 L 2^* J
TABLE
Sphere of radius
JR
(ir*
5.3.4B
Spherical shell of exterior radius
R and interior radius cR
.
Ji(x)
00
00000
00995
2-6
0-1960
0-2867
0-3688
0-4401
0-4983
0-5419
0-5699
0-5815
0-5767
0-5560
0-5202
3-0
0-2
0-4
0-6
0-8
10
1-2
1-4
1-6
1-8
20
2-2
2-4
3-4
0-4708
0-4097
0-3391
0-2613
0-1792
3-6
00955
2-8
3-2
3-8
0-0128
40
-00660
4-2
-0-1386
-0-2028
-0-2566
-0-2984
-0-3276
4-4
4-6
4-8
50
Cylinder of length
meter
Thin
small-angle scattering curves is

similar to a Gaussian. The Gaussian which fits the
actual curve best for s small is
all
(-"*')
the radius of gyration of the particle with respect

to its centre of gravity. For heterogeneous particles
2
its definition is i? =sA'' ir/ s/jr rn being the distance
to the centre of gravity from the atom of scattering
factor K Equation (18) may be written
!
M?r
dia-
circular disc of radius
(31+51^
3/
U
R
R_
V2
H_
2H
V3
/ a*+b
Parallelepiped of edges
+c 2 \i
2a, 2b, 2c
Cube of edge 2a
Approximation to the Tail of the Curve.
[12]
According to (12), in the region where s is large,

is to say toward the outer limit of the central
that
diffuse spot, the actual curve is asymptotic to the curve

3
4
2
(p 5/8tt )(1/j )
the particle.
which depends only on the surface of
5.3.5. Effects of Interparticle Interference for
Identical Particles ("Dense" Group)*

Intergarticle
interference
modifies the scattering
power I(s) appropriate to the particles of a system of

"low density". For particles with spherical symmetry
in a "dense" system, the scattering power per particle
becomes
log J(s)=log e In I(s)= -0-4343
\5/
.(18)
is
2H and
2R
Fibre of length
Law
Approximate Formula. Guinier's
I(s)=n 2 exp
5 \*
l_-c
/izf
\
8
1\l-c
/
2+T 2 \*
5.3.4.4.
The form of
/3\ *
Ellipsoid of semi-axes, a, a,ra..
Ji(x)
Porod'sLaw[11]
5.3.4.3.
....(17)
a function of x=0(0-2)5-0
Jj{x) as
gyration
+const.
00
JW-JG>[l -yj{i -P(r)^f^r^
....(19)
.... (22)
Hence the graph of log I(s) as a function of (20) is a

p of which gives the radius of
straight line, the slope
V1
gyration:
5.3.8). P(r) is
J
R =0-418Ay>
....(20)
the average volume available per particle (see

the distribution function of the particle
centres. If the particles are centrosymmetrical but
(A)=0-645V/>
....(21)
(
{
^ f^lE^d
accurate, to within
5%, only
(23)
2-rrSr
for particles of a quasi-spherical shape. (For a sphere,

according to (1), the central spot extends out to
SmRoÔ-4.) For ln g thin particles or very thin flat
it is
P{r)
The approximation is very good (5 %) up to sR =0-2
platelets
do
not have spherical symmetry, the formula becomes
For A=l-542A(Cutfa):
is
The average
*
as far as
([/($)]*)
is
in general different
low-density system. (See also p. 326.)
327
I(s).
By convention, a dense system means any system that cannot

be regarded as infinitely dilute. One that can is a
satisfactorily
sR =01.
from
5.3.
5.3.5.1.
Debye's Formula
being the total surface area of all the particles forming
if I(s) is here the total scattered intensity.
[1]
the system,
For spherical particles of volume V and radius R,

Debye assumed that P(r)=0 for r<2R and P{f)=\
for r>2R, from which results
5.3.7.
General Case
The specimen
I(s)=2n*0\2irsR) 1-^10(477^)
The formula
Vx
is
valid only if
V is
small
is
composed of matter of uniform
electron density p filling a fraction c of the total

volume with an arbitrary distribution. The scattering
.(24)
compared with
power of a volume
is
oo
/(*)=
5.3.5.2.
Fournet's Formula
This expression is a result of the Born and Green

theory of liquids and makes use of the potential energy
<f>(r) of two particles separated by a distance r:
m-m F -(2w
lT*
tdr "" (28)
y(r) is the characteristic function
of the heterogeneous
sample (Porod [11]). For a system of low density
composed of identical particles y(r) becomes y (r), the
characteristic function of the particle. In the general
case y(r) is defined in the following way: Let Z(r) be
the probability that a point a distance r from another
point occupied by matter is also occupied by matter.
Vl
.(25)
)/]8(5)
*>Mi -$\v
[4]
^)=(4i7i/{exp(-f)-l]sin2W,
Then
Z(r)=c+(l-c)y(r)
5.3.6.
By Fourier inversion,
Low-density Group of Particles of Different
obtained from the

Porod has defined a distance of
experimental data.
Shapes
....(29)
may be
y(r)
00
The
scattered intensities
from the
different particles
heterogeneity
add, since there is no interparticle interference. If p K

is the relative proportion _of particles of type
of
average scattering power IK and containing n K elec-
by
/c
=2
\y(r)dr,
which corresponds to
trons, the scattering
the average particle diameter for systems of identical

particles and low density, but in the general case lc
power per particle of the ensemble
may
is
I(s)=XpK
lM
not be interpreted in a simple way.

limit of the product sH(s) is still given by
The
....(26)
2
3
(p /8tt )5
Curves of Roess and Shull [13]

Roess and Shull have calculated the scattering by
an ensemble of ellipsoids of revolution, of axial ratio t,
which follow a Maxwellian distribution of parameter
n. The average radius of gyration R and n are determined by choosing the curve which agrees best with
experiment. The charts of Roess and Shull may be
found in their original paper [13].
5.3.6.1.
5.3.8.
See 5.3.6.3.
Limit of the Scattered Intensity at Zero Angle
We
consider the limit of the measured scattered

toward the
smallest experimentally-attamable value. If the system
intensity as the scattering angle tends
contains on the average

identical particles in a
volume V the actual number ofparticles in a particular volume VQ fluctuates about N. It may be shown
,
that
I(0)=n 2 (N-N) 2
5.3.6.2.
For a
If measurements are made at angles small enough

for this approximation to hold for the largest particles
2
2
^pK n K R QK
Xp K n K2
fluid the
mean square
fluctuation
(NN)
lated to the isothermal compressibility jS=
of the mixture, one may express the intensity in

exponential form.
The radius of gyration thus found is an average
determined by the formula
5.3.6.3.
(30)
Exponential Approximation
and the
is
re-
dp J T
result is
N^
I(0)=n 2
(31)
Vlf the average available volume per particle, is VJN.

In particular, for a perfect gas, p=\jp=V1 IKT, and
there results the expression appropriate for a system
with no interparticle interference:
.(27)
Approximation to the Tail of the Curve
The Porod approximation (5.3.4.4) is as valid for a

mixture of different kinds of particles as it is for homogeneous systems. It holds even for dense systems* The
limiting value of s*I(s) as 5 increases is (p 2/87r 3)S iS
I(0)=n*N
*
By convention, a dense system means any system that cannot

be regarded as infinitely dilute. One that can is a
satisfactorily
low-density system. (See also p. 326.)
328
5.3.
be proportional to (l/iQexp (-K s ), the
proportionality constant depending only on the incident intensity and the geometry of the apparatus.
2 2
The Total Energy scattered at Small Angles

Consider a system of low packing density composed
of identical particles each of volume V, radius of gyration R and specific weight 8. The ratio of the total
5.3.9.
sity will
energy scattered at small angles per unit mass, to the

intensity of the incident beam is [6] [15]
Correction for an Infinitely High,
5.3.10.2.
Uniform Beam
(see also [9])
measured value, the true function I(s),

within a factor of proportionality determined by the
If J(s) is the
^=0-0017A 2 8-^-
and
are expressed in
special case of spheres of radius R
if
A and
....(32)
V in A
In the
experimental geometry,
/i=0-011A
Beam Height
du
Transformation Formulae [14]

When sH{s) tends toward a constant limit
increases, then the product s*J(s) tends also

limit.
s%s)=\s*J(s)
....(35)
It may also be shown that the following expressions

hold in the application of (9) and (10):
Case of Gaussian Intensity Distribution
a-
00
sJ(s)ds
If the scattered intensity follows a
Gaussian
(36)
distri-
bution, the measured intensity follows the same law,

no matter what may be the beam height. There is no
correction to be made. If the true function is
(-K 2s 2),
as s
toward a
For
[8]
exp
(34)
)*
slits
intensity [10].
1(0)
and u an integration
J' being the derivative of
variable without physical significance.
or crystalline reflections.
The scattered intensity is measured normal to the
plane of the direct beam, at its point of maximum
5.3.10.1.
> +w
2
5.3.10.3.
All the preceding formulae have been developed

assuming that the primary beam is a thin cylindrical
pencil. However, most experiments are made with
beams defined by
I(s) OC
....(33)
\i is not very small, multiple scattering plays a

predominant role and the formulae given here cease
to be applicable (see [2] [10]).
flat
{(s +t/ )*}
When
5.3.10. Corrections for
'
is
^/(s^J J(s)ds
the experimentally measured inten-
(37)
5.3 References
[1]
[2]
Debye, P. Phys. Z., 28, 135, 1927.

Dexter, D. L. and Beeman, W. W. Phys. Rev., 76,
[9]
[10]
[5]
[6]
Idem. Theorie et Technique de la Radiocristallographie,
[11]
[8]
1957; 11, 843, 1958;
Porod, G. KolloidZ., VIA,
[12] Idem.
Ibid., 125, 108,
308, 1947.
J. L. Suppl. J. Phys. Rod., 18, 90A, 1957.
[15] Warren, B. E. /. Appl. Phys., 20, 96, 1949.
[16] Wilson, A. J. C. X-ray Optics, chap. IV (Methuen,
(Dunod, Paris, 1956).

Guinier, A. and Fournet, G. Small-angle Scattering
of X-rays. (Wiley, New York, 1955).
Hosemann, R. Z. Phys., 113, 751, 1939.
[14]
p. 650.
[7]
Cryst., 7, 709, 1954.
Ibid., 10, 136, 643,
83, 1951.
1952; 133, 51, 1953.
[13] Roess, L. C. and Shull, C. G. /. Appl. Phys., 18,
Ewald,
P. P. Proc. Phys. Soc, 52, 167, 1940.

Fournet, G. Bull. Soc. franc. Miner., 74, 39, 1951.
Guinier, A. Ann. Phys., Paris, 12, 161, 1939.
[4]
Luzzati, V.
12, 144, 1959; 13, 939, 1960.
1782, 1949.
[3]
Kranjc, K. Acta
Soule,
London,
329
1949).
Section 6
PROTECTION AGAINST
RADIATION INJURY
^
J.
E. Cook:
and W.
J.
Oosterkamp
PAGE
6.1.
Introduction
333
6.2.
336
6.3.
Electron Diffraction Apparatus
337
6.4.
337
Introduction
6.1.
Much of this material is taken from the Recommendations of the International Commission on
Radiological Protection (ICRP) [1] [2] and the Report
of Committee III of the ICRP [3]. The above report
is, in respect of industrial applications, in conformity
with the 1958 revision of Chapter XI, Section 2, of the
Model Code of Safety Regulations for Industrial
Establishments, published by the International Labour
Office.
Reference
is
also
made on
this subject to
Hand-
76 (1961) [5] and 61 (1955)

the U.S. National Bureau of Standards.
books 59 (1954)
[4],
[6]
of
(cf. Section 6.2.3) are complied with. He should

ensure that adequate medical examinations and radiation monitoring of personnel are carried out (cf. Sec-
report
tions 6.1.4
and
6.1.5).
All areas in which radiation hazards
may
arise
should be identified by an appropriate and easily

recognizable warning sign. In case the hazard is of a
temporary nature only, the warning sign should be
removed when the hazard no longer exists. Audible
and/or visible signals should be provided in the
vicinity of installations, to provide warning before and
during irradiation.
The equipment should be made as foolproof as
possible.
6.1.1. Objectives of Radiation Protection
Exposure to ionizing radiation can
result in injuries
that manifest themselves in the exposed individual
and
in his descendants
these are called somatic
and
genetic injuries respectively.
The objectives of radiation protection are to prevent or minimize somatic injuries of persons occupationally exposed to ionizing radiation and to minimize a deterioration in the genetic constitution of the
population.
An upper limit for occupational exposure is given
in the recommendations of the ICRP. In most situations it is possible to reduce exposure considerably
below these levels. This is achieved by a knowledge of
the origins of the ionizing radiation, of exposure levels
in the working area, and of doses received by personnel, coupled with reduction of exposure levels by
the use of shielding and reduction of exposure time by
careful attention to operating procedures.
It is the duty of the workers, upon the instruction

of a qualified expert or responsible supervisor, to follow the recommendations and instructions which have
been drawn up in the interests of radiation protection;
further, to use the protective devices provided for
their welfare, and to bring to the notice of those in
charge any defect that may become apparent.
qualified expert (or health physicist) is a person having
knowledge and training needed to measure ionizing

and to make recommendations regarding
radiation
radiation protection.
should be stressed that recommendations in reand operation of the equipment are not in themselves sufficient to guarantee
adequate protection. Such protection depends largely
on the expert knowledge of the staff and on their cooperation in carrying out the instructions prepared by
their supervisor in the interests of radiation protection.
It
spect of the installation
Maximum
6.1.3.
6.1.2. Responsibility
It
A controlled area
is
Permissible Doses
emphasized that the
maximum
permissible
doses recommended in this section are maximum

values; it is recommended that all doses be kept as
low as practicable, and that any unnecessary exposure
be avoided.
should be established where persons occupationally exposed might receive doses in

excess of 1-5 rem/year*. Then all the following rules
should be complied with. The exposure of personnel
to radiation in a controlled area should be under the
supervision of a radiation-protection officer.
radiation-protection officer is one who has the knowledge
and responsibility to apply appropriate radiation-protection regulations. He may be the owner or the
person in charge of the controlled area or he may be
a technically competent person appointed by the
above.
The owner or the person in charge of a controlled
area (head of the department) should be responsible
for the working conditions and for the instruction of
all persons working in the area regarding radiation
hazards and methods of control. He should also be
responsible for ensuring that all instructions and
operating conditions specified in the radiation survey
The ICRP recommendations concerning maximum

doses from any source of radiation,
permissible
internal or external to the body, are
Table
summarized in
6.1 A.
* Note. The definitions of doses, and of the units in which

doses are expressed, as quoted from the report of the ICRU,
[7] are:
Absorbed dose of any ionizing radiation is the energy imparted

to matter by ionizing particles per unit mass of irradiated
material at the place of interest.
The unit of absorbed dose is the rad. 1 rad is 100 erg/gram.
RBE
(relative biologically effective) dose is equal numerically to the product of the absorbed dose in rads and an agreed
factor
(relative biological effectiveness) whose values for
different radiations are, for the purpose of radiation protection,
laid down by the ICRP.
RBE
The rem
333
is
the unit of
RBE
dose.
6.
PROTECTION AGAINST RADIATION INJURY
TABLE
Maximum
6.1A
Permissible Doses of Radiation
Occupational
exposure
Whole body,
gonads,
blood-forming
organs, lens of eye
5
3
30
Skin, thyroid
Other single organs
15
Hands, forearms,
4
75
20
feet
and ankles
(N-18) rem*
rem/ 13 weeks
rem/year
rem/ 13 weeks
rem/year
rem/ 13 weeks
rem/year
rem/ 13 weeks
1*5
Special
General
groups
public
3 rem/year
1*5
This represents the cumulative dose, with
3 rem/year
rem/year
1-5
rem/year
N the age in years.
TABLE
Exposure dose of X- or gamma radiation at a certain place

a measure of the radiation that is based upon its ability to
produce ionization.
The unit of exposure dose of X- or gamma radiation is the
rontgen (r). One rontgen is an exposure dose of X- or gamma
radiation such that the associated corpuscular emission per
0001 293 gram of air produces, in air, ions carrying 1 electrostatic unit of quantity of electricity of either sign.
0-5 rem/year
rem/year
6.1B
is
Neutron fluxes
{neutrons) cm zsec)
0-025
10
In the case of X-rays from X-ray or electron-
10
diffraction apparatus, the organ or tissue dose in rads
01
assumed to be numerically equal to the

exposure dose in rontgens measured in air.
(or rems)
Flux
Energy
is
0-5
1
As
the radiation associated with neutron-diffraction

is penetrating, and will generally affect the
whole body except in the case of localized beams, the
2
3-10
apparatus
eV
eV
keV
MeV
MeV
MeV
MeV
MeV
700
700
300
70
25
20
15
10
maximum permissible doses for occupational exposure

are given by the formula D=5(N-18) rem, with the
6.1.4.
exception of the hands and forearms, feet and ankles,

where a maximum permissible dose of 75 rem per
year is recommended. It is also recommended that
dose should not be accumulated at rates greater than
3 rem per 13 weeks for the whole body and 20 rem
per 13 weeks for the hands and forearms, feet and
All new personnel in radiation work should have a

pre-employment medical examination. Notes should
be made of the family history, of the previous occupational history, and of previous X-ray diagnostic
examinations or radiation therapy. The pre-employment examination should include a complete blood
ankles.
should be noted that these doses are the total for

all types of radiation, i.e. gamma, beta, fast or slow
neutrons. In order to sum doses rems rather than
rads are used. For beta and gamma radiation the
RBE dose in rem is taken to be equal to the absorbed
dose in rad (RBE= 1) for neutron radiation an RBE=
10 is assumed. In order to estimate neutron dose in
rems the fluxes deduced from data given by the ICRP
[8] and quoted in Table 6.1B may be used.
These fluxes are quoted as alternatives to absorbed
dose rates of 10 mrad per 40 hours at a depth of
2 cm in tissue. Using an RBE of 10, they may be
taken as equivalent to dose rates of 100 mrem per
40 hours. Similar levels, with details of their derivation, are given in NBS Handbook 63 [9].
It
Health Surveillance
count, with determination of erythrocyte and leukocyte levels and a differential white cell count. It
should be recognized that the examination is directed
toward determining the "normal" condition of the
worker at the time of employment, and toward noting

any abnormalities that might later be confused with
radiation damage.
In cases where there has been previous occupational
exposure, the total accumulated dose should be
recorded and any appropriate additional medical
examinations performed. These should include oph-
thalmological examinations, with particular reference

to changes in the lens in cases of exposure to neutrons
and examinations of skin and

of partial external irradiation and
external contamination.
and to heavy
particles,
nails in the case
334
PROTECTION AGAINST RADIATION INJURY

Adequate periodical medical examination should be
carried out, particular attention being paid to the
eyes and to the skin of the hands and the face. On

account of the nature of the radiation hazards, reliance
should not be placed on blood counts and personnel
monitoring alone which might give rise to a false sense
of security.
6.1.5. Personnel
Monitoring
Doses received as a
result of occupational exposures

should be systematically checked with appropriate instruments to ensure that the maximum permissible
335
doses are not exceeded, and to make possible the

keeping of individual cumulative dose records.
Personnel monitoring devices [10] capable of
measuring the doses received from all the radiations
around the apparatus should be worn to record whole
body dose, and, where necessary because of local
irregularities in the exposure rate, should be worn to
record partial body exposures, e.g. to the hands or
head. This procedure cannot cover accidental exposures to the useful beam. The cumulative doses
recorded in this way should not exceed those recommended in Table 6.1A.
6.2.
6.2.1. Operational

appropriate protection organization or a qualified
reappraisal of the protection should be made
after every change in an existing installation. Change
should here be construed to mean any change that is
Techniques
expert.
must be taken to avoid exposure

to the useful beam, either coming from the X-ray tube
or from a monochromator. Owing to the low inherent
filtration and the short focal distance, the dose rate
is so high that permanent skin injuries may be caused
by a few seconds' or even a fraction of a second's
irradiation. Dose rates up to 36,000 roentgen per
second have been measured in the useful beam.
Special precautions
likely to increase the radiation hazards such as an

increase in the workload* or the quantum energy of
the radiation, or an alteration in the protection of a
barrier.
Almost all radiation injuries caused by X-ray diffracwork have been to the fingers of operators. When
The person undertaking

the proposed
necessary to manipulate or mark objects under

examination, provision must be made for this to be done
is
still
and
maintaining adequate protection.
necessary
recommend modifications
to mini-
satisfactory.
In carrying out a radiation survey
it is
often useful
make a
preliminary investigation by means of a

suitable Geiger-Miiller [11] [12], scintillation or
ionization instrument.
to
Requirements in respect of Installations
Normal dose-measuring equipment may have an

inadequate response to the low-energy radiation used
in X-ray diffraction work. Therefore it is necessary
to make sure that the instrument used is calibrated
for the radiation quality in question. In addition,
most instruments may give misleading readings unless
exposed to uniform radiation fields. Such equipment
may therefore not detect leaks of small cross section.
This results in underestimates by an unknown factor
for the dose rate in the beam. Defects in the shielding
may best be detected by means of films or by types of
radiation detectors having small apertures. The sensitivity of fluorescent screens is too low to detect dose
rates of the order of magnitude of the permissible
levels, and their use might give a false sense of security.
Photographic films may be used if it is necessary to
know beam size accurately and, when properly calibrated, to estimate dose rate.
For the final measurements, ionization chambers or
other suitable equipment which has a low variation
in sensitivity with dose rate, quality and direction of
X-ray tubes must be provided with protective

housings appropriate to the nature of the work, so as
to afford adequate protection to personnel. Special
attention should be given to the junction between the
tube-housing and camera (or diffractometer).
gap
of only 0-5
may be a strong source of stray radiation, causing a dose rate of 70 mr/h or more. The
leakage radiation at any accessible point at a distance
of 5 cm from the surface of the tube housing and
diffraction apparatus in operation should not exceed
25 mr in 1 hour at every specified tube rating.
Each port of the tube housing must be provided
with a beam shutter, preferably so arranged that it can
be open only when the collimating system is in place.
This recommendation is particularly applicable where
experiments are carried out by inexperienced personnel [17].
The X-ray camera or other recording equipment
must be provided with a protective screen which
absorbs the useful beam behind the specimen under
examination.
Installations which, despite compliance with the
preceding paragraphs, do not provide adequate overall protection should be placed in a separate room in
which only authorized persons are permitted during
mm
the radiation should be used.

Whenever defects are found in the shielding, they
should be eliminated before the installation
is
taken
into routine use.
The results of a survey should be submitted in a

formal written report. The report should include any
recommendations required for the modification of the
protection, for limitations in operating procedures,
and for the posting of signs indicating such limitations.
irradiation.
6.2.3.
if
the survey should study
methods of operation of the equipment
mize radiation hazards. In this connection a study

should be made of the personnel monitoring technique. All interlocks, warning signals and protective
devices should be inspected to ensure that they are
When X-ray analysis equipment is used for research

purposes the non-routine nature of the work greatly
enhances the possibility of radiation injuries. It is
therefore essential that the personnel should be aware
of the hazards and how to guard against them.
6.2.2.
obtain both inside and outside the controlled
area.
tion
while
The installation should be re-surveyed periodi-
cally in order to ascertain that satisfactory conditions

still
it
Radiation Surveys and Monitoring Installations
Routine operation of any installation using X-rays

should be deferred until a radiation survey has been
made and the installation found to comply with the
recommendations. The survey should be made by the
* Workload a measure in suitable units of the amount of

use of the X-ray equipment.
:
336
Electron Diffraction Apparatus
6.3.
Workers must be made aware of the radiation

hazards in this equipment, due to X-rays generated
by electrons impinging on the screen and other parts
Neutron
Sections 6.1 and 6.2.3 are also

applicable to electron diffraction equipment.
6.4.
6.4.1. Origins of Radiation
of the apparatus.
Hazards
lead and iron [14] and concrete [15].
diffraction experiments require a fission
reactor as a source of neutrons [13]. The apparatus

beam of radiation from the
reactor, containing both gamma radiation and neutrons (of all energies up to several MeV), and a
consists of a primary
device (the monochromator) for selecting from the
primary beam a secondary beam of neutrons of a

chosen energy. Hazards arise from the primary
beam, from radiation scattered by the monochromator, from the secondary beam, and from induced
radioactivity of those parts of the apparatus in the
primary beam.
With adequate shielding for the primary beam the
only hazards in normal running arise from the
secondary beam and induced activity. The secondary
beam may contain from 10 4 to 10 5 neutrons per
second, spread over a few square centimetres at the
specimen position, and giving dose rates of 0-05-
rem per hour.
0-5
gamma
dose
rays
and
contain scattered
a comparable
activity will occur in the
chromator and, to a
The induced
also
fast neutrons giving
Induced
rate.
will
It
mono-
lesser extent, in the specimen.
have short
activities
Al 28 2-4 minutes; Cu 64
,
half-lives
(e.g.
12-8 hours); but radiation
Shielding for
neutrons is provided by hydrogenous materials, including water [16], paraffin [16], compressed wood
[13] and concrete [9]. Water generally presents difficulties in containment and paraffin presents a fire
hazard, and neither is therefore generally desirable.
The thickness of material required to reduce radiation levels by a given factor depends on the gamma
or neutron energy, on the material, and on the geometry of the system. As an indication of shielding
properties it may be noted that, for gamma rays of
1-2 MeV, 2 in. of lead or 8 in. of concrete will give a
reduction by a factor of about ten, while for fast neutrons a similar reduction is obtained with 4 in. of
water or 8 in. of concrete.
Thermal neutrons may be absorbed in cadmium or
boron, whose capture cross-sections are 2400 and 760
barns respectively. Capture in cadmium produces
gamma radiation which has to be absorbed in shielding,

whereas capture in boron produces an alpha particle
absorbed in the boron. As cadmium is obtainable as
the metal and has the larger cross-section, it is often
a convenient material. One millimetre of cadmium
metal transmits only 10~ 5 of the thermal neutrons
incident
upon
it.
immediately after removal from the primary

may be of the order of 1 rem per hour.
Apart from external shielding on the apparatus, a

method of absorbing the primary beam before it
Measurement of Radiation Hazards

Instruments must be available for the detection and
measurement of gamma, fast-neutron and slow-neutron exposure rates, and for the detection of beta
ments can be made to the apparatus without unnecessary exposure. It may also be convenient to have an
levels
beam
reaches the
6.4.2.
The instruments should be
radiation.
sensitive to read exposure rates of less
mrem
6.4.4. Operational
working distances between sources of radiation and

the operator. No operation should be carried out
until an estimate has been made of the dose which
would be received. The actual dose received must be
measured with personnel dosimeters. No operation
shall be carried out with the hands in a beam of
radiation, because of the difficulty of estimating and
measuring the dose received by the fingers. Such
size accurately.
and Design of Apparatus

Shielding is required to absorb the primary beam
of radiation from the reactor, for the scattered radiation from the monochromator, and for the secondary
6.4.3. Shielding
beam
operations should either be carried out with the beam

cut off or be carried out under remote control. No
work should be done in the neighbourhood of the
apparatus which can be done elsewhere.
after use.
Gamma
ray shielding
is
Techniques
Operational techniques require to be considered in

order to minimize time spent in areas of significant
dose rate and in order to increase as far as possible
measuring dose rates in beams
know beam
required so that adjust-
sufficiently
than
with most instruments as the beam cross-section is

usually less than the dimensions of the detector in
the instrument. This results in underestimates by an
unknown factor for the dose rate in the beam. Photographic emulsion techniques [10] may be used if it is
necessary to
is
absorber for the secondary beam so that specimens

can be changed without unnecessary exposure.
per hour.
Difficulties arise in
monochromator
conveniently provided by
337
6.
[1]
[2]
References
Recommendations of the International Commission

on Radiological Protection (adopted 9th September 1958). ICRP Publ. 1. (Pergamon Press,
London, 1959).
Addendum
to
ICRP
Publ.
[9]
Protection against Neutron Radiation up to 30

Million electron Volts. Handbook 63, 1957,
United States Department of Commerce, National
Bureau of Standards, Washington, D.C.
2, 317,
[10]
Hine, G. J. and Brownell, G. L. (editors). Radiation

Dosimetry. (Academic Press, New York, 1956).
of the ICRP: Protection

MeV and beta
[11]
Kohler, T. R. and Parrish, W. "Conversion of
1.
Health Physics,
1960.
[3]
Report of Committee
against X-rays
[4]
up
III
to energies of 3
Quantum Counting Rate
and gamma rays from sealed sources. IRCP

Publ. 3 (Pergamon Press, London, 1960).
Permissible Dose from External Sources of Ionizing
[12]
Radiation. Handbook 59, 1954, plus addendum

15th April 1958, United States Dept. of Commerce, National Bureau of Standards, Washington,
[5]
[6]
[7]
[8]
to Roentgens,"
Rev.
Sci. Instr., 27, 705, 1956.
Oosterkamp, W. J., Proper, J. and de Wuk, J. J. F.

"Dosimetry of the very weak X-radiation generated in television receivers and X-ray diffraction
apparatus." Philips tech. Rev., 19, 264, 1957-58.
D.C.
[13]
Bacon, G. E. and Dyer, R. F. "Neutron Diffraction

Instruments at a High-flux Nuclear Reactor."
Medical X-ray Protection up to Three Million Volts.

Handbook 76, 1961, U.S. Dept. Commerce, Nat.
Bur. Standards, Washington, D.C.
Regulation of Radiation Exposure by Legislative
Means. Handbook 61, 1955, United States
Department of Commerce, National Bureau of
Standards, Washington, D.C.
Report of the International Commission on Radiological Units and Measurements (ICRU), 1956.
Handbook 62, 1957, United States Dept. of Commerce, National Bureau of Standards, Washington, D.C.
Recommendations of the International Commission
J. Sci. Instr., 36, 419, 1959.
[14]
Fano, U. "Gamma Ray Attenuation." Nucleonics,

11, No. 8, p. 8, and No. 9, p. 55, 1953.
[15] Protection against
Radiations from Sealed
Handbook
Gamma
United States
Department of Commerce, National Bureau of
Standards, Washington, D.C.
Sources.
[16] Stinson,
W.
P.
"How
Nucleonics, 12,
[1 7]
No.
73,
1960,
to shield Reactor
Beams."
9, p. 50, 1954.
Code of Practice for the Protection of Persons exposed

to Ionizing Radiations in University Laboratories.
(The Association of Universities of the British
on Radiological Protection (revised 1st December

1954). Brit. J. Radiol. Suppl, No. 6, 1955.
Commonwealth, London,
338
1961).
Section 7
DICTIONARY OF CRYSTALLOGRAPHIC
AND OTHER TERMS FOR VOLUME III
In English, French, German, Russian and Spanish
Compiled with the help of J. L. Amor6s, V. Balashov,

A. Guinier, N. F. M.
J.
Wyart,
J.
W. H.
Baur, E. F. Bertaut,
M.
L. Canut, P. P. Ewald,
Henry, H. Jagodzinski, F. H. Laves, A. L. Mackay, A. V. Schubnikov, A.
Zemann and
J.
C. Wilson,
others.
PAGE
the five languages
7.1.1. List
of terms in English which are similar (or easily recognizable) in
7.1.2. List
of terms which are similar (or easily recognizable) in English, French,
(English
7.1.3. List
Note:
all
. .
German and Spanish

343
and Russian equivalents only are given)
of other English terms used with equivalents in French, German, Russian and Spanish
for Russian alphabet see Vol.
II, p.
435.
341
344
7.1. Dictionary of Crystallographic
and other Terms in English, French, German,
Russian and Spanish

7.1.1. List of
terms in English which are similar (or easily recognizable) in
all
the five languages
Aberration
Effective
integrated intensity
allotrope
electrolytic
intensity
amorphous
electron-volt
interference
amplitude
anion
energy
entropy
interference figure
analysis
epitaxy
evacuation
exponential
extrapolation
ionic
anisotropy
anomalous
dispersion
anti-ferromagnetism
antipodes, optical
interpolation
ionization
chamber
isodesmic
isomorphous
crystals
isostructural
isotope
atomic number
azimuthal
isotropic
isotypic
Ferroelectricity
ferromagnetism
ferrimagnetism
Bohr magneton
figure, interference
filter
Carbonaceous material
cation
element
flotation
linear
fluorescence
logarithmic spiral
Fourier analysis
Fourier transform
function
characteristic line
Macroscopic; microscopic
magnetic moment
mass absorption coefficient
matrix
meridian, meridional
micropycnometer
mimetic (twins)
spectrum
characteristic temperature
characteristic
classical electron radius
coefficient
Gas phase
complex ions
globular protein
configuration
goniometer
contrast
gradient
co-ordinates
gram-atomic
group (crystallographic)
co-planar
corrosive
Line, characteristic
line profile
column
minimum
mole
monochromator
monoclinic
monolithic
crystallite
cylinder
morphology
mosaic crystal
Hemimorphy
hexagonal
homogeneity; heterogeneity
Debye factor
Debye temperature
homologues
detector
hydrophilic; hydrophobic
diamagnetic anisotropy
hygroscopic
diffusion
hysteresis
Nomogram
hydrolysis
non-relativistic
normal
dilatometer
dipole
discrimination (electronic)
dispersion formula
dose
dosimeter
doublet
non-conjugated (bonds)
Optical activity
Identity period
orientation
index; indices
orthorhombic
indicatrix
oscilloscope
341
7.
DICTIONARY OF CRYSTALLOGRAPHIC, ETC., TERMS
Parallel (adj.)
Quadrant
parameter, thermal
periodic system
quantized system
stereographic projection
structure analysis
quantum
structure factor
phase
structure type
photoelectric absorption
photoelectrons
photomicrograph
photon
\.
raaian
Temperature factor
radioactivity
tensor
reaction
tetrahedral
piezoelectricity; pyroelectricity
plasticity
plateau
pleochroism
p l ar
polarizability
reactive
matenal
refractometer
texture
rem
topotaxy
transform (Fourier)
rhombohedral
translation (lattice)
polarization factor
triclinic
pole
pole figure
trigonal
Satellite
polycrystalline
segment
polymer
polymorph
spectral line
precession
spectrometer
spectroscopy
projection
spin, electron
pseudosymmetry
spin,
pulse amplitude
spin orientation
Vector
volumenometry
magnetic
Zone
342
7.
7.1.2. List of
terms which are similar (or easily recognizable) in English, French, German and Spanish (English and
Russian equivalents only are given)
ENGLISH
Absorption band
ENGLISH
RUSSIAN
nojioca norjiomeHHH
(a6cop6iniH)
absorption coefficient
K03(p(J)HrnieHT
absorption, differential
AH(p(pepeHiniajii>Hoe
anomalous absorption
norjionjeHHe
aHOMajibHoe norjiomeHHe
aTOMHBIH K03(p(pHimeHT
RUSSIAN
Interatomic
intermolecular;
intramolecular
Me>KaTOMHBIH
Media, immersion
CpeflBI
multiplicity factor
4>aKTop noBTopneMOCTH
Negative
OTpHiâTejn>HBiH
Point
point-focus
TO^Ka
MOHOXpOMaTOp C TOê^HBIM
mokmo JieKyjinpHbiH
BHyrpHMOJieKyjiflpHBiH
norjiomeHHH
atomic absorption
coefficient
HMMepCHOHHBie
norjiomeHHH
Biaxial crystal
flByocHbiH KpHcrajui
body-centred cubic
KyOH*ieCKHH
ijeinpHpoBaHHBiH
monochromator
Capillary tube
chemical constitution
coherent; incoherent
KanHJuinpHan TpySna
XHMHêcKoe crpoeHHe
constant
nOCTOHHHblH (HaH)
ciuiouihoh cneKTp
(bonycoM
positive
nojio>KHTejiBHBiii
primary
nepBHiHBra
pycnometry
onpefleneBue iijiothocth
IIHKHOMeTpOM
Quotient
MacTHoe
Radial function
refinement
pa^HanLHoe pacnpeêjieHHe
yTOMHeHHe
relative intensity
OTHOCHTeJIBHaH
reproducibility
HHTeHCHBHOCTB
BOCnpOH3BOflHM0CTB
KorepeHiHfciii;
HeKorepeHTHtrii
continuous spectrum
convergent
co-ordination
compound
Diamagnetic
susceptibility
OCOflHUJHHCH
KoopAHHainioHHoe
coe^HHeHHe
AHaMarmrrHaH
BOCnpHHMMHBOCTB
dimensions
pa3MepBi
Elastic constant
KOHcraHTa ynpyrocrH
moztvjil ynpyrocrH
SKBHHaKJIOHHBIH MCTOA
elastic
modulus
equi-inclination
Secondary
BTOpH^HBm
statistical significance
CTaTHcnraecKHii Bee
susceptibility
BOCnpHHMMHBOCTB
method
3KCTHHKU1IH nepBirmaH
3KCTHHKBJDI BTOpHMHaH
Total reflection
nojraoe OTpa>KeHHe
extinction, secondary
triple point
TpoimaH TO^nca
Fixing (photographic)
3aKperuieHHe
Viscosity
BH3K0CTB
extinction, primary
343
7.
7.1.3. List of other English
ENGLISH
Abraded surface
terms used, with equivalents in French, German, Russian and Spanish
FRENCH
surface abrasee
GERMAN
abgeschliffene oder
geschmirgelte
Oberflache
abrasion chamber
absorption edge
acid reaction
additivity relation
chambre
d' abrasion
arete d'absorption
reaction acide
relation d'additivite
RUSSIAN
SPANISH
imiH(boBaHHaH
noBepxHOCTb
superficie raspada
Schleifkammer
Absorptionskante
saure Reaktion
a6pa3HBHan najwepa
Kpaft norjiomeHHH
camara de abrasidn
canto de absorcidn
KHCJiaa peaniuiH
Additivitatsbeziehung
cooTHomeHHe
reaccidn acida
relacidn aditiva
KJieii
adhesivo
npncnocoSjieHHe
nepeMeHHbiii tok
ajuste
corriente alterna (CA)
aleaci6n
factor de amplificaci6n
aflmrrHBHOCTH
adhesive (noun)
adjustment
alternating current (AC)
adhesif
reglage
Klebstoff Bindemittel
Justierung
courant alternatif (CA)
alloy
amplification factor
amplifier
analyser window
Wechselstrom
Legierung
alliage
coefficient d' amplification Verstarkungsfaktor
angle of tilt
annealing
annular
amplificateur
fenStre d' analyse
angle d'inclinaison
recuit
annulaire
Verstarker
Diskriminator-Fenster
ycHjiHTejib
amplificador
okho aHajiH3aTopa
Neigungswinkel
revenido; recocido
anular
Naherung
Bogen
yroji HaioioHa
OTHGHT
KOJIbUCBOH
npH6jiHH<eHHe
ventana del analizador

angulo de inclinaci6n
yra
arco
acHMMeTpHêcKan Macn> unidad asim&rica

aCHMnTOTHêCKHH
limite asint6tico
Anlassen; Tempern
ringformig
approximation
approximation
arc
arc
asymmetric unit
asymptotic limit
limite asymptotique
asymmetrische Einheit
asymptotische Grenze
atomic weight
poids atomique
Atomgewicht
average
axis; axes
moyenne
motif asymetrique
cnjiaB
cpaKTOp ycmieHHH
aproximacidn
npeêji
axe; axes
Background
back reflection
balanced niters
fond continu
en retour
filtres de Ross; filtres
compenses
reflexion
aTOMHbiH Bee
Durchschnitt; Mittelwert cpe^Hee
OCb. OCH
Achse; Achsen
promedio
eje; ejes
Untergrund
(J)OH
fondo
Riickstrahlung
OTpaH<eHHe Ha3aa
6anaHCHpoBaHHbie
(pHJibTpw Pocca
reflexi6n de retroceso
ochobhoh ypoBeHb
nyqoK (jiyqefi)
nivel de base
Differenzfilter
base level
seuil
Grundniveau
beam,
faisceau diffracte
Streustrahl; Strahl,
diffracted
peso at6mico
gebeugter
filtros
compensados
haz difractado
flH(b4)parHpoBaHHbiH
beam, incident
beam, scattered
faisceau incident
faisceau diffuse
einfallender Strahl
Streustrahl; Strahl,
gestreuter
nyÔK naflaiomjift
nyÔK pacceaHHbiH
haz incidente
haz difundido
bending frequency
frequence de torsion
Frequenz der
Biegeschwingung
Knickfrequenz
qacroTa KOJie6aHHii
frecuencia flectora
Monochromator mit
gebogenem Kristall
MOHOXpOMaTOp C
bent-crystal
mono-
chromator
binder
birefringence
blackening (of film)
boiling point (B.P.)
monochromateur a
cristal
courts
adhesif; colle
birefringence
noircissement
point d'ebullition
Bindemittel
H3ra6a
H30rHyTbIM
KpHcrajinoM
CBH3jnomee BemecTBO
Siedepunkt
ABOHHoe npejioMjieHHe
noêpHeHHe
TOMKa KHneHHH
Doppelbrechung
Schwarzung
bond
bond length
bond strength
bond system
liaison;
Bindung
CBH3L
flJIHHa CBH3H
CHJia CBH3H
bond, terminal
bond type
liaison terminate
type de liaison
Bindungslange
Bindungsstarke
Bindimgssystem
endstandige Bindung
Bindungstyp
bonded powder
bonding anisotropy
poudre
pont
longueur de liaison
force de liaison
systeme de liaison
CHCTeMa CBH3CH
CBH3B KOHIêBaH
ran cbh3H
monocromador de
cristal
curvado
aglutinante
birrefringencia
ennegrecimiento
punto de ebullici6n
enlace, puente
longitud de enlace
fuerza de enlace
sistema de enlace
enlace, extremo
tipo de enlace
valence
bonding, intermolecular
bonding, non-directive
bonds, coplanar
bore (of tube)
bound electrons
boundary surface
breadth, half-value
bridge
pastillee
anisotropic de liaison
liaison intermoleculaire
liaison non dirigee
liaisons coplanaires
CBH3yiomHH nopomoK
gebundenes Pulver
aHH30TponHH cbh3h
Bindungsanisotropie
Bindung, intermolekulare MOKMOJieKyjwpHaH
CBH3b
HenpHiwaH CBH3b
KOMnjiaHapHbie cbh3h
OTBepcrae Tpy6KH
diametre du canal
Bindung, ungerichtete
Bindungen, koplanare
Bohrung; lichte Weite
central
electrons lies
surface limite
largeur moyenne
pont ; liaison
cBH3aHHbie ajieKTpoHM
noBepxHocn. pa3Aena
Grenzflache
nojiyuinpHHa
Halbwertsbreite
Briickenbindung; Briicke cBH3b
polvo trabado
anisotropia de enlace
enlace intermolecular
enlace no directional
enlaces coplanarios
calibre (de un tubo)
orificio
gebundene Elektronen
344
electrones compartidos
superficie limitrofe
anchura, valor mitad
puente
7.
FRENCH
ENGLISH
GERMAN
RUSSIAN
SPANISH
Eichung; Kalibrierung
Brennkreis
Kajm6poBKa
Kpyr KaycTHKH
maille
Hohlraume
ZeUe
nycroTbi (b KpHcrajuiax) cavidades

celdilla; celda
HêHKa
cement
ciment
Bindemittel;
centre of gravity
chain structure
centre de gravite
structure en chaine
Schwerpunkt
channel width
bande passante
abaque
Calibration
etalonnage
caustic circle
cavities (in crystals)
cercle caustique
cavites
cell
chart
chemical binding
tube
liaison
chimique
circuits electroniques
circuits
circuitry,
circuits
Zement
ueMeHT;
icrieH
calibraci6n
circulo cdustico
cemento
neirrp thmkccth
neno*ie*niaH crpyiaypa
umpmia KaHajia CBH3H
KapTa; /jHarpaMiwa
centro de gravedad
estructura en cadenas
anchura de canal
Netz
chemische Bindung
Rohrenschaltung
XHMHMeCKaH CBH3b
cxeiwa jiaftinoBaH
unidn quimica
circuito de una valvula
Schaltung; Stromkreise
KOHTypbl
circuitos
Kettenstruktur
Kanalbreite
Tafel;
Nomogramm;
abaco; carta;
falsilla
(ajieiopiraecKHe)
cleavage
close doublet
clivage
close-packing
coarse powder
coat (verb: to coat)
cold-rolled strip
assemblage compact
poudre a gros grains
enduire
etire a froid
feuille laminee a froid
collimation system
doublet serre
Spaltung; Spaltbarkeit
enges Dublett;
Doppellinie
dichte
Packung
grobes Pulver
iiberziehen
cnamiocTb
exfoliacidn
6jiH3KHii ,ny6jieT
doblete pr6ximo
ruiOTHaa ynaKOBKa
KpynHbift noponiOK
OAeBaTb, noKpbmaTB
empaquetado
polvo grueso
patinar, recubrir
estampado en frio
cinta laminada en frio
kaltgezogen
kaltgewalzter Streifen
xojioflHOTHHyrbrii
systeme de collimation
Blendensystem
KOJIJIHMaUHOHHaH
CHcreMa
sistema de colimaci6n
collimator
collimateur
Blende; Kollimator
KOJumiviaTop
compaction
compression
npeccoBKa
compounds
composes
echelle de densites
Zusammenpressen
Verbindungen
Komponenten-Dichte-
npOBOflHMOCTb
colimador
compactaci6n
compuestos
escala componentedensidad
conducci6n
HHTepBaJIBI HaAOKHOCTH
VPOBHH HaAOKHOCTH
intervalos confidenciales
niveles confidenciales
cold-drawn
npoKaTaHHan (BanmpBaHHan) Ha xojiofly

jieHia
component-density scale
conduction (of heat,
etc.)
confidence intervals
confidence levels
confidence limits
confidence ranges
confidence regions
conjugated-bond system
contact-radiographical
testing
conduction
intervalles de confiance
niveaux de confiance
de confiance
etendues de confiance
regions de confiance
systeme a liaisons
conjuguees
essai radiographique par
contact
limites
Skala
Leitung
Konfidenzintervalle
KonfidenzwahrscheinUchkeiten
Konfidenzgrenzen
Konfidenzbereiche
Konfidenzgebiete
System konjugierter
COeflHHeHHH
niKajia njioTHocra
npefleJlbl
HaAOKHOCTH
nopHflKH HaflOKHOCTH
oSjiaCTH HaflOKHOCTH
CHcreiwa KOHrbiorHpo-
BaHHblX CBH3eH
Bindungen
KOHTaKTHO-paflHOPrufung durch
rpa(biwecKoe
Kontakt-Radiographie
limites confidenciales
rangos confidenciales
regiones confidenciales
sistema de enlaces
conjugados
prueba radiografica de
contacto
HoibiTaraie
npHMecb; 3arpH3HHiomee contaminante
agent contaminant;
substance contaminante
Verunreinigung
contamination by
harmonics
contour
conversion factor
contamination par
Verunreinigung durch
Oberwellen
Umriss; Niveaulinie
adwpeKT Bbicumx
rapiwoHHK
Umrechnungsfaktor
(paKTOp KOHBepCHH
coolant
co-ordination
agent de refroidissement
coordinence
Kiihlmittel
oxjiamrrejn.
refrigerante
Koordinationszahl
KOOpflHHaUHOHHOe
numero de coordinacion
contaminant
harmoniques
contour
facteur de conversion
BemecTBo
KOHTyp
contaminacidn por
harm6nicos
contorno
factor de conversion
(o6pameHHH)
number
HHCJIO
cosmic ray
counter diffractometer
rayon cosmique
diffractometre a
counter, Geiger
counter, proportional
compteur
compteur Geiger
compteur proportionnel
KOCMHMeCKHH JTyH
kosmischer Strahl
Zahlrohr-Diffraktometer flHdpdppaKroMeTp co
CT&PfflKOM
cî&niHK reiirepa
Geigerzahler
cêT^HK nponopuHOProportionalzahler
counter, scintillation
compteur a
Szintillationszahler
counting rate
counting statistics
taux de comptage
Zahlgeschwindigkeit
statistique de comptage
liaison covalente
tension critique
Zahlstatistik
rayo c6smico
difractdmetro contador
contador Geiger
contador proportional
HajlbHblH
covalent
bond
critical excitation
voltage
cross-section
crystal habit
curvature
cylindrical curvature
scintillations
d'excitation
section efficace
facies cristallin
courbure
courbure cylindrique
kovalente Bindung
kritische
Anregungsspannung
Querschnitt
CêT^HK CUHHTHJIJIHUHOHHblH
CKopocn, cneTa
CêTHaH CTaTHCTHKa
KOBajieHTHaH CBH3b
Hanpn>KeHHe KpHTHMecKoro B035y>KfleHHH
nonepeMHoe ceêHHe
Kristalltracht;
Kristallhabitus
raSHTyc KpHcraiuia
Krummung
KpHBH3Ha
zylindrische
Krummung UHJlHHApHMeCKaH
KpHBH3Ha
345
contador de centelleo
velocidad de cuenta
estadistica de contaje
enlace covalente
voltaje critico
de
excitacidn
seccidn eficaz
hdbito cristalino
curvatura
curvatura cilindrica
7.
Data, input
data, output
datum; data
dead space
dead time
GERMAN
FRENCH
ENGLISH
RUSSIAN
SPANISH
donnee; donnees
Eingangsdaten
Ausgangsdaten
Zahlwert; Daten; Werte
espace mort; volume
Totraum
AaHHoe; aaHHbie
MepTBan o6jiacrb
entrada de datos
salida de datos
dato; datos
espacio muerto
mort
temps mort
Totzeit
MepTBoe BpeMH
tiempo muerto
anillo
valeurs d' entree

valeurs de sortie
BxoflHbie flaHHbie
BbixoflHbie flaHHBie
Debye-Scherrer ring
decay (radioactive)
anneau Debye-Scherrer
Debye-Scherrer-Ring
(cqeT^HKa)
JleSaa-IIIepepa koju>uo
disintegration
Zerfall
pacnaa
decomposition
deformation
decomposition
deformation
Zersetzung
Deformation;
degree
dense system
degre
systeme dense
Grad
density (g/cc)
density, electron
density gradient
density (photographic)
density scale
deviation
developing
(photographic)
diameter
die (mould)
(pa^HOaKTHBHblft)
pa3JioH<eHHe
fledpopiwauiiH
de Debye-Scherrer
desintegraci6n, caida
radiactiva
descomposicidn
deformaci6n
Verformung
rpa^yc; creneHb
yruioTHeHHaH CHcreMa
grado
kondensiertes System
densite
densite electronique
gradient de densite
opacite
echelle de densite
deviation; ecart
sistema denso
Dichte
IIJIOTHOCTB
densidad (g/cm 8)
Elektronen-Dichte
riJIOTHOCTbj SJieKTpOHHafl densidad electrdnica
gradiente de densidad
Dichtegradient
rpaflneHT iijiothocth
Schwarzungsdichte
IUIOTHOCTb noMepHeHHH densidad (fotografica)
Dichteskala
mKajia iljiothocth
escala de densidades
Abweichung; Deviation; AeBHainro; oTKJiOHeHne desviaci6n
developpement
Streuung
Entwicklung
npoHBjieHHe
revelado
diametre
Durchmesser
pnai&erp
diametro
Matrize; Pressform;
Maxpmxa
molde (de fundido)
filiere;
moule
Ziehform
de diffraction
diffraction line
diffraction maxima
raie
diffraction pattern
diagramme de
diffractometer trace
courbe d'enregistrement
maxima de
diffraction
Beugungslinie
Interferenzmaxima
diffraction Beugungsbild
Diffraktometer-Kurve
au diffractometre
diffuse scattering
direct current (DC)
direct photomultiplier
direction, reference
direction, rolling
dislocation
disorder; local disorder
courant continu (CC)

photomultiplicateur
direct
direction de reference
direction de laminage
dislocation
desordre; desordre
displacement
deplacement
distorsion
distribution spectrale
beam
SEV
nung
VerscWebung
distortion
distribution, spectral
divergent
dose-rate
vielfacher;
Bezugsrichtung
Walzrichtung
Versetzung; Dislokation
Unordnung; Fehlord-
nung; lokale Unord-
local
faisceau divergent
taux de dose
double refraction
double refraction
double-coated X-ray film film pour rayons
a
double Emulsion
Electron shell
couche electronique
electronic charge
electronic transition
electrostrictive force
charge electronique
transition electronique
force d'electrostriction
emission wavelength
longueur d'onde
encased powder
d'emission
poudre sous enveloppe
MaKCHMyMbI
figura de difraccidn
KapTHHa flH(p(hpaKHHH
flH^xbpaKTOMeTpHêcKHH traza del difractdmetro
cnefl
Streuung
Gleichstrom
Sekundarelektronenver-
diffuse
diffusion
flHcpcppaKinroHHaH jthhhh linea de difraccidn

maximos de difracci6n
flH(J){|)paKUHOHHbie
AH(p4)y3Hoe pacceHHne
nOCTOHHHblH TOK
npHMoii cboToyM-
difraccidn difusa
corriente continua
fotomultiplicador directo
(CQ
HOJKHTejIb
HcxoflHoe HanpaBJieHne
direcci6n, referenda
HanpaBJiemie npoKaTKH direccidn de arrollamiento
dislocaci6n
HCJIOKaUHH
6ecnopHoK; jioKanbHbra desorden; desorden local
6ecnopjw>K
ciwemeHHe
desplazamiento
Verteilung, spektrale
flHcropcHH; HCKanceHHe
pacnpeflejieHHe
cneKipajibHoe
distorsidn
distribuci6n espectral
divergentes Biindel
Dosisleistung
paCXOflHmHHCH nyMOK
neHa
haz divergente
Doppelbrechung
flBOHHoe npejiOMJieHHe
flBycropoHHHH peHTreHOBCKan njieHKa
doble refracci6n
pellcula de rayos
ajieKTpoHHaH o6ojio*n<a
cubierta electr6nica
carga electr6nica
transici6n electr6nica
fuerza de electrostricci6n
longitud de onda de
Verzerrung
beiderseitig gegossener
Rontgenfilm
Elektronenschale
Elektronenladung
Elektroneniibergang
elektrostriktive Kraft
Emissions-Wellenlange
3apHA 3JieKTpoHa
ajieKTpoHHbiH nepexoa
CHJia 3JieKTpOCTpHKIUIH
3MHCCHOHHaH
flJDffla
X de
doble emulsi6n
emisi6n
polvo encajado o
BOJIHbl
eingeschlossenes Pulver
dosis
nopomoK,
3anpeccoBaHHbiii b
oeojioMKy
embebido
croissance par epitaxie
orientierte Aufwachsung;
epitaxiales Wachstum
anHTaKCHMecKHH pocr
equation
equation
ypaBHeHne
equatorial ray
raie equatoriale
Gleichung
in der Aequatorebene
crecimiento epitaxico;
orientado
ecuaci6n
3KBaTopHaju>HbiH jryq
rayo ecuatorial
OIUHOKa
error
pico de escape
estimaci6n; estima
figura de corrosi6n
epitaxial
growth
gestreuter Strahl
error
escape peak
estimation
etch figure
erreur
pic de fuite
estimation
figure d'attaque
Fehler
escape peak"
ycKOjn>3aiouuni
Abschatzung
oueHKa
Atzfigur
dj)mypa TpaBJieHHH
346
nuK
7.
GERMAN
RUSSIAN
SPANISH
ENGLISH
FRENCH
etch pit
etching
Eulerian cradle
puits d'attaque
Atzgriibchen
HMKa TpaBJieHHH
pozo de corrosi6n
decapage, attaque
cercle d'Euler
Atzung
TpaBJieime
corrosi6n
Euler-Wiege
3iuiepoBa KOJn>i6ejn>Ka cfrculo Euleriano

(roHHOMeTpuwecKaH
even
exchange terms
pair
termes d'echange
gerade
Austauschglieder
excitation voltage
tension d'excitation
Anregungsspannung
qerHbiH
oGMeHHbie *uieHti
HanpajKeHHe B03630K-
excited state
6tat excite
angeregter Zustand
B036y>KfleHH0e
rojioBKa)
par
terminos de cambio
voltaje de excitaci6n
AeHHH
estado excitado
cocroHHHe
Warmeausdehnung
expansion, thermal
experimental error,
limits of
exposure (photographic)
dilatation thermique
limites de l'erreur
extinction direction
direction d'extinction
Ausloschungsrichtung
Extinktionsrichtung
extinctions (absences)
extra-nuclear
extinctions
extra-nucleaire
Ausloschungen
Face-centred cubic
cubique a faces centrees
kubisch-flachenzentriert
feedback device
montage a reaction
Ruckkopplungsanord-
experimentale
pose
experimentelle
Fehlergrenze
Belichtung
ausserhalb des Kerns;

extranuklear
nung
pacirrapeHHe leiuioBoe
onmOKa om>rra,
npeflejibi ee
dilataci6n termica
error experimental,
limites del
3KCn03HDHH
HanpaBjieHHe
exposici6n
direcci6n de extinci6n
3KCTHHKHHH
3KCTHHKUHH
BHeaêpHbra
extincidn sistematica
extra nuclear
Ky6HHecKHH rpaHeijeHTpHpoBaHHbra
ycrpoHCTBO oopaTHoii
CBH3H
cubico de caras centradas
mecanismo feedback
fibre axis
fibre structure
axe de fibre
structure de fibre
Faserachse
Faserstruktur
OCb BOJIOKHa
eje de fibra
BOjioKHHcraH crpyKTypa estructura de fibra
fibrous
fibreux
figure d'attaque
caracteristiques du film
paquet de film
contraction du film
caracteristiques du
faserig
BOJIOKHHCTbm
Atzfigur
Filmeigenschaften
Filmschrumpfung
figura de corrosi6n
(pHrypa TpaBJieHHH
xapaKrepHCTHKH ruieHKH caracterlsticas de pelfcula
naKer mieHOK
paquete de peliculas
contracci6n de la pellcula
ycaflKa ruieHKH
Filtereigenschaften
XapaKTepHCTHKH
figure, etch
film characteristics
film pack
film shrinkage
filter characteristics
Filmpaket; Filmpack
monochromator
monochromateur a
flow proportional
counter
focal plane
focusing circle
plan
a flux gazeux
plan focal
cercle de focalisation
foil (sheet)
feuille
forbidden state
etat interdit;
fraction
fraction
frequency, bending
cristal
de
filtro
Monochromator mit
ebenem Kristall
MOHoxpoMaiop C IIJIOCKHM monocromador de
Gasflussproportionalzahler
noTOHHO-nponopuHOHajIBHblH CH&niHK
Brennebene
(pOKajIBHaH nJIOCKOCTB
piano focal
4)OKycHpyiomHH Kpyr
circulo focal
frequence de torsion
Brennkreis
Folie
verbotener Zustand
Teil; Anteil; Bruch
Biegefrequenz;
frequence longitudinale
Streckfrequenz
exclu
Knickfrequenz
frequency, stretching
caracterlsticas
qjHjibTpa
filtre
flat-crystal
fibroso
KpHcrajuioM
cristal
piano
contador proporcional de
flujo
hoja
3anpeme'HHoe cocroHHHe estado prohibido
JIHCTOK
ppo6b
qacroTa H3rH6Hbrx
KojieSaHHH
qacrora KOJieSaHHH
fracci6n
frecuencia de torsidn
frecuencia de estirado
paCTHJKeHHH-OKaTHH
en avant
Vorwartsreflexion
OTpa>KeHHe Bnepefl
reflexi6n frontal
genetischer Schaden
reHenraecKoe
noBpejKfleHHe
dafio gen6tico
Glanzwinkel
yrOJI CKOJIBHCeHHH
Zylinder zur
TpySna rpaflneHTa
angulo de incidencia
tubo de gradiente
rpaHHqa (npocjioHKa)
horde de grano
front reflection
reflexion
Genetic injury
dommage
glancing angle
gradient tube
angle de r6flexion
tube a gradient de
grain boundary
densite
joint de grain
Dichtebestimmung
Korngrenze
genetique
Aie>Kfly
Kornorientierung
Korngrosse
Gitterspektrograph
3epHaiHH
opHeHrauHH 3epeH
BejnpfflHa 3epeH
orientacidn de grano
grain orientation
grain size
grating spectrograph
orientation de grain
taille de grain
grating, artificially ruled

gravity, centre of
ground surface
reseau.
a traits
centre de gravity
Gitter, geritztes
Schwerpunkt
pemeTKoii
peuieTKa HCKyccrBeHHafl red
centro de gravedad
HeHTp THHteCTH
surface abrasee
geschliffene Oberflache
IHJIH<t)OBaHHaH
superficie basal
Grundzustand
nOBepXHOCTb
OCHOBHOe COCTOAHHe
paAHyc BpameHHH
estado basal
giro, radio de
ground
state (of atom)

gyration, radius of
spectrographe a reseau
6tat fondamental
rayon de giration
Tragheitsradius
347
cneicrporpacb c
tamafio de grano
espectrdgrafo de red
7.
ENGLISH
Habit
FRENCH
(crystal)
facies
half-life (radioactive
GERMAN
Habitus; Tracht
Halbwertszeit
periode
RUSSIAN
SPANISH
ra6myc
habito
vida media
nojrynepHO^
atom)
hardness (Mohs' scale)
hardness (photographic)
harmonics; sub-
harmonics
heat, specific
heavy-atom technique
high gain (counter
durete
durete
harmoniques; sousharmoniques
Harte
TBepflocn.
dureza
Harte
KOHTpacrHocn. (ruie'HKH) dureza
Oberwellen harmonische ; rapjwoHHKH
armdnicos subsubharmonische
cySrapMOHHKH
armonicos
Warme
chaleur specifique
methode de l'atome
lourd
gain elev6
Schweratomverfahren
jweTOfl THraejibix a-roMOB
hohe Ausbeute
6ojibinoe ycnjieHHe
gran ganancia (tecnica de

contado)
rotation limitee
gehinderte Rotation
3aTOpMOH<eHHOe
libraci6n; rotaci6n
spezifische
TenjioeMKocrb
technique)
hindered rotation
BpameHHe
homogeneous mixture
melange homogene
homogene Mischung
OJJHOpOAHaH CMeCb
Image
image
image-intensifier tube
tube intensificateur
d'images
Bild
Bildverstarkerrohre
immersion medium
milieu d'immersion
non-miscible
trace d'impurete
faisceau incident
H3o6pa>KeHHe
Tpy6Ka (jiajvma),
ycHJiHBaromaH
H3o6paH<eHHe
HMMepcHOHHaa cpeâ
immiscible
impurity, trace
incident (beam)
incipient crystallization
commencement de
Immersionsmittel
unmischbar
Spurenverunreinigung
einfallender Strahl
Anfangskristallisation
cristallisation
inclusions (in crystals)

inert; inertness (i.e. not
reactive)
inertial distance
HecMeinHBaeMbiii
npHiwecb, cneA
naâiouniH
Haâjio KpHCTan-
calor especifico
tecnica del atomo pesado
impedida
mezcla homogenea
imagen
tubo intensificador de
imagen
medio de inmersi6n
inmiscible
impureza, traza
incidente
cristalizacidn incipiente
JIH3aiUiH
inclusions
Einschliisse
BKJHOêHHH
inclusiones
inerte; inertie
(Reaktions)- trage;
HHepTHbin; HHeprHocrb
inerte; pasividad
rayon moyen de giration Tragheitsarm

inflammable
entziindlich
pa^nyc nuepiniH
ropio^HH
distancia inercial
infra-red
injury (radiation)
infra-rouge
ultrarot; infrarot
dommage
Schadigung
intensity distribution
distribution d'intensite
Intensitatsverteilung
HHdppaKpacHbiH
noBpe>KfleHHe
(paflnauHOHHoe)
pacnpeêjieHHe
infrarojo
lesidn o dafio (por
radiaci6n)
distribuci6n de intensidad
intensity ratio
rapport d'intensite
Intensitatsverhaltnis
HHTeHCHBHOCTH
OTHomeHHe
relaci6n de intensidad
HHTeHCHBHOCTeft
B3aHMOfleHCTBHe
interacci6n
inflammable
(i.e.
easily
-tragheit
inflamable
set alight)
interaction
interfacial
interplanar distance
interaction
diedre
distance reticulaire
Wechselwirkung
zwischen Flachen
Netzebenenabstand
rpaHHbift
MeHOIJIOCKOCTHOe
interfacial
distancia interplanar
paCCTOHHHe
interplanar spacing
Netzebenenabstand
npOMOKyTOK MOK^y
espaciado interplanar
njlOCKOCTHMH
interpretation
interstitial
atoms
irradiated volume
irradiation
isomorphous
isomorphous
Deutung
HHTepnpeTauHH
interpretaci6n
atomes interstitiels
volume irradie
Zwischengitteratome
nepexoAHbie aTOMW
Volumen
irradiation
replacement substitution
series
Lap (verb)
lath
lathe
latitude (line of)
latitude ()
lattice
interpretation
parameter
serie
isomorphe
isomorphe
roder
plaquette
tour
parallele
latitude
parametre du reseau
layer line
strate
layer-line separation
distance interstrate
layer structure
structure en couche
moindres carres
largeur de raie
elargissement de raies
least squares
line breadth
line-broadening
loosely bound (electrons) faiblement
lies
oGjryîeHHbiH 06'beM
atomos intersticiales
volumen irradiado
Bestrahlung
o6jrvMeHHe
irradiaci6n
isomorpher Ersatz
isomorphe Reihe
H30Mop<pHoe 3aiviemeHHe substituci6n isomorfa

H30MOp(|)HaH CepHH
serie isomorfa
lappen; feinschleifen
Latte
nojinpoBaTb (Ha xoncre)

njiaHKa
pulir
tabla
Drehbank
craHOK (TOKapHbiii)
torno
Breitenkreis
Breite
Gitterkonstante
Schichtlinie
Schichtlinienabstand
mnpHHa
latitud (paralelo)
latitud
parametro reticular
linea de nivel
separaci6n de los niveles
bestrahltes
Schichtstruktur
kleinste
Quadrate
Linienbreite
Linienverbreiterung
locker gebunden
348
nmpoTa
napaieTp pemeTKH
oioeBaH JIHHHH
paccroHHHe MeH< iry
CJIOeBblMH JIHHHHMH
cjioeBan crpyKTypa
HaHMeHbiiiHe KBaapaTbi
UIHpHHa JIHHHH
pacuiHpeHHe jihhhh
criaSo CBH3aHHbie
1
estructura estratificada
minimos cuadrados
anchura de la llnea
ensanchamiento de linea
debilmente ligados
; ;
7.
GERMAN
FRENCH
ENGLISH
surface usinee
Machined surface
grandeur
magnitude
mass number (of isotope) nombre de masse
maximum
maximum
mean
medium (between
moyen
moyen
small
machinenbearbeitete
Oberflache
Grosse; Betrag
Massenzahl
Maximum; Hdchstwert
mittel; Mittelwert
mittel
RUSSIAN
o6pa6oxaHHaH
noBepxHocTb
SPANISH
superficie
mecanizada
magnitud
BejiHMHHa
MaccoBoe mhcjio
numero masico
MaKCHMyM
maximo
CpeflHHH
cepeflHHa
medio; media
ruiaBHTb
fundir
pacnuaB
To^Ka ruiaBJieHHH
MHKDOBeCbI
CMeuiHBaiomHecH
fusi6n, fundido
medio
and
large)
melt (verb)
point de fusion
schmelzen
Schmelze
Schmelzpunkt
microbalance
Mikrowaage
miscible
mischbar
fondre
melt (noun)
melting point (M.P.)
microbalance
masse en fusion
miscible (liquids)
compound
punto de fusi6n
microbalanza
miscible
(>khakocth)
MOJieKyjinpHoe
COeflHHCHHe
compuesto molecular
compose moleculaire
Molekiilverbindung
monitor; monitoring
moniteur; commande
par moniteur
Steuervorrichtung
steuern
MOHHTOp; A03HpOBKa
monitor; verificaci6n;
monochromatic
rayonnement
monochromatique
cristal mere; matrice
mise en place; montage
monochromatische
MOHOXpOMaTHMeCKOe
contrastaci6n
radiacidn monocromdtica
molecular
radiation
mother
crystal
mounting, crystal
multiple
Mu-magnetic
shield
multiple
ecran magnetique en
Strahlung
Mutterkristall
Kristallmontierung
halterung
H3JiyweHHe
MaTepHHCKHH KpHcrajui
MOHTHpOBKa (lOCTH-
vielfach
poBKa) KpHcrajiJia
MHOrOKpaTHblH
/x-magnetische
/i-MarHHTHbIH 3KpaH
cristal
madre
montaje de un
cristal
multiple
pantalla mu-magnetica
Abschirmung
mu-metal
Narrow beam
faisceau etroit
net counting rate
taux de comptage net
enges Biindel
Netto-Zahlgeschwindig-
net plane (of lattice)
plan reticulaire
diffraction de neutrons
Netzebene
Neutronenbeugung
ceTâTan ruiocKocxb
noeuds
yairti
myM
ruido
HeHanpaBjieHHa cbh3b
HecjryMaHHBie oluh6kh
HaepHbift MaraeTOH
enlace
y3Knii nyqoK
haz lino; pincel de rayos
uhcto cêTHaH cKopocTb velocidad de contaje neto
keit
neutron diffraction
HeHTpOHHaH
piano reticular
difracci6n de neutrones
flH(p(ppaiauiH
nodes, lattice
noise
bruit
Gitterpunkte
Gerausch; Unruhe;
Storuntergrund
non-directive bonding
liaison
non dirigee
erreurs systematiques
ungerichtete Bindung
systematische Fehler
magneton de Bohr
Bohr'sches Kern-
non-random errors
nuclear Bohr magneton
magneton
nucleaire
no directional
no estadisticos
magnet6n de Bohr
errores
nuclear
resonancia magnetica
nuclear
^mcjio
numero
incidence oblique
schrager Einfall
Kocoe naêHHe
incidencia oblicua
impair
experience de la goutte
ungerade
Oltropfchen-Experiment
(MiUikan)
Betriebsspannung
HeMeTHbift
onbiT c naâiomeH
impar
number
nombre
Oblique incidence
odd
nucleaire
d'huile
operating voltage
tension de service
optical flat
orbital transform
plan optique
transformee orbitale
Anreissplatte
Fouriertransformierte
der Eigenfunktion
order-disorder
phenomene
Ordnungs-Unordnungs-
phenomenon
la red
HflepHbiii
resonance magnetique
oriented growth
Eopa
nudos de
magnetische Kernresonanz
Zahl; Anzahl
nuclear magnetic
resonance
oil-drop experiment
pemeTKH
ordre-
desordre
croissance orientee
Erscheinung
orientiertes (oder
gerichtetes) Wachstum
MarHHTHbin
pe30HaHc
Kanjieii
(MmunnoHa)
onepaTHBHoe
HanpHHceHHe
npoSHoe cftieioio
opSHTajibHan
TpaHcdx>pMaHTa
HBJieHHe nopHAKa-
experimento de la gota de
aceite
voltaje de trabajo
superficie plana 6ptica
transformada orbital
fen6meno de orden6ecnopHKa
desorden
OpHeHTBpOBaHHblH pOCT crecimiento orientado
oscillation
oscillation
Schwingung
surdetermine
iiberbestimmt
OCUHJUIHIUIH
H36bITOÎHO
onpeflejieHHbiH
oscilacidn
overdetermined
Packing
empilement
(chambre) a localisation
approchee
Packung
ynaKOBKa
empaquetado
parafokussierend
npH6jiH3HTejibHOH
parafocahzante
parallel of latitude
parallele
Breitenkreis
parameter, positional
parameter, unit-cell
parametre de position
parametre de la maille
parafocusing (camera)
elementaire
Lageparameter
Zellkantenlange;
Gitterkonstante
349
superdeterminado
CpOKyCHpOBKH
napaiuiejib (mnpoTbi)
paralelo de latitud
napaMCTp no3rarHOHHbm parametro de posici6n
napa*ieTp sjieiweHTapHOH parametro, celda unidad
hmchkh
7.
GERMAN
FRENCH
ENGLISH
particule; taille de
particule
pic, maximum; intensit6
Teilchen; Teilchengrosse
RUSSIAN
Macrana; pa3Aiep
SPANISH
schlags; Intensitat
nHK; HHTeHCHBHOCTb
nmca
particula; tamafio de
partfcula
pico, maximo; intensidad
del pico
(rapport) signal-bruit
des Maximums
Maximum zu Unter-
(oMHomeHne) nmca k
pico a fondo
penetration (of solid)
penetration
grund
Durchdringung
perfect crystal
cristal parfait
Idealkristall
particle; particle size
peak; peak intensity
au maximum
peak-to-background
(ratio)
MacTHinsi
Maximum
des Aus-
permeable; impermeable permeable; impermeable durchlassig; undurchlassig
perturbation
photomultiplier
perturbation
photomultiplicateur
Stoning
Sekundarelektronenver-
piston
piston
plane
plane wave
planimeter trace
plan
Kolben
eben, Ebene
npoHHKHOBeHHe
penetracidn
coBepmeHHbiil KpHcrajui cristal perfecto

npOHHuaeMbiii;
permeable; impermeable
HenpoHHuaeMbiH
nepTypSauHH
4>oToyMHOWHTejn>
perturbaci6n
fbtomultiplicador
nopmem>
pist6n
njIOCKOCTb
njiocKaa BOJma,
piano
njiaHHMeTpHMecKaH
linea de planimetro
(SEV)
vielfacher
onde plane
(pony
courbe planimetrique
ebene Welle
Planimeterkurve
deformation plastique
plastische
ecoulement plastique
agitateur a plongeur
plastisches Fliessen
plus
plus
dimension des pores

fendtre
Porengrosse
Ausgangsfenster
position
diffusion potentielle
Punktlage; Stellung
Potential-Streuung
onda plana
KpHBaa
deformation
plastic
plastic flow
plunger-type stirrer
plus
pore size
port (of tube housing;
window
Verformung
Tauch-Ruhrwerk
njiacxEraecKaa
fle(popiwanHH
deformaci6n plastica
roiacnraecKoe TeêHHe
ruryH>KepHaH Memaima
njnoc
BejraMHHa nop (nycroT)
flujo pldstico
agitador de paletas
mas
oTBepcrae
tamafio de poro
puerta, ventana de salida
noJio>KeHHe
noTeHniiajiBHoe pac-
posicidn
difusidn potencial
exit)
position
potential scattering
(neutrons by nucleus)
ceHHne (HenipoHOB
Hjspam/i)
poudre
nopomoK
polvo
puissance
cHJia
potencia
TO*IHOCTb
precisi6n
orientaci6n preferente
precision
preferred orientation
Pulver
Kraft; Potenz; Leistung
Genauigkeit
precision
orientation preferentielle bevorzugte Orientierung
preparation
preparation
Vorbereitung; Praparat
primitive circle
principal axis
probability
processing of film
cercle primitif
axe principal
probabilite
traitement du film
Grundkreis Einheitskreis ochobhoh Kpyr

rjiaBHan ocb
Hauptachse
BepOHTHOCTb
Wahrscheinlichkeit
o6pa6oTKa mieHKH
Filmentwicklung und
processing of intensities
elaboration d'intensites
Korrektur der Intensi-
taten
Proportionalzahler
nponopijHOHajibHbiH
masse du proton au
Protonruhemasse
Macca noKOH npoTOHa
masa
repos
hauteur d'impulsion
discrimination d'amplitude d'impulsion
Impulshohe
Impulshohen-Diskrimi-
BbicoTa HAtnyjn>ca
altura del impulso
AHCKpHMHHaUHH
discriminaci6n de ampli-
powder
power
npeHMymecTBeHHaH
opneHTauHH
npenapaT;
npHroTOBJieHHe
preparacidn
circulo primitivo
eje principal
probabilidad
revelado de la pelicula
-fixierung
proportional counter
o6pa6oTKa hhtchchbHocrefi
elaboraci6n de intensi-
dades
contador proporcional
cêrqHK
proton
rest
mass
pulse height
pulse-amplitude
discrimination
tud de impulsos
HMnyjIbCHblX
nierung
del protdn en reposo
aivinjiHTyA
Quenched
quenching
circuit
tremp6
abgeschreckt
ocjiaSjieHHbift
temple
circuit d'amortissement
Dampfungskreis
HCKporacHTejib
circuito de
amortiguamiento
Random errors;
non-
random errors
random orientation
erreurs accidentelles;
erreurs systdmatiques
orientation au hasard
point du reseau
reciproque
vecteur du reseau
reciproque
Verhaltnis
Punkt des reziproken
Gitters
Vektor des reziproken
Gitters
rate-meter
dose-metre
gyromagnetic
reciprocal-lattice point
reciprocal-lattice vector
zufallige Orientierung
rapport gyromagn&ique
domaine
intervalle,
cnyManHbie onm6KH;
Hecjiywatebie
Fehler
Bereich; Reichweite
Rate-meter" ImpulsFrequenz-Messer
gyromagnetisches
range
ratio,
zufallige; nicht zufallige
350
onm6KH
npOH3BOJIbHaH
opneHTanHH
AHana30H
H3MepHTejIb HHTeHCHBhocth ; HyiviepaTop
K034>4>HUHeHT
errores al azar; errores

distribuidos al azar
orientaci6n al azar
rango, intervalo
escala contadora
relacidn giromagnetica
rapoMarHHTHbiH
y3eji oSpaTHoii peme'TKH nudo de
Beicrop oSpaiHOH
pemerKH
no
la red reciproca
vector de la red reciproca
7.
de reciprocite
reciprocity law
loi
recoil factor
recorder
rectangular
facteur de recul
enregistreur
rectangulaire
rectification
rectification
reference plane
reference sphere
plan de reference
sphere de reference
plan reflechissant
reflecting plane
GERMAN
FRENCH
ENGLISH
RUSSIAN
Reziprozitatsgesetz
Riickstossfaktor
Registrierapparat
rechtwinklig
Rektifizierung;
Gleichrichtung
SPANISH
3anoH B3aHM03aMecTHMOCTH
ley de reciprocidad
(J)aKTOp OTflaHH
npHMoyrojibHbiH
factor de retroceso
registrador
rectangular
OMHCTKa
rectification
peKopêp
Hcxo^HaH njiocKOCTb
piano de referenda
esfera de referencia
HcxoflHan ctbepa
OTpa>KaiomaH njiocKOCTb piano que refleja
Bezugsebene
Bezugskugel
reflektierende
Ebene;
Reflexionsebene
reflecting
power
pouvoir reflecteur
poder de reflexi6n
OTpaHtaTejibHaH cnjia,
Reflexionsfahigkeit
MOLUHOCTb
reflection circle
cercle de reflexion
Kpyr 3Bajibfla (ruiocKoe circulo de

ceneHHe opepbi
Reflexionskreis
reflexi6n
3Bajiba)
non-
reflection,
reflexion
non
OTpaweHHe
equatoriale Reflex einer hohern
no ecuatorial
reflexi6n
HeaKBaTopnajibHoe
Schichtlinie
equatorial
reflectivity
reflectivite
Reflexionsvermogen
OTpaH<aTejibHaH
refraction
refractive index
refraction
indice de refraction
Brechung
npejiojvoieHHe
Brechungsindex
noKa3aTejib
npejiOMJieHHH
replacement,
substitution isomorphe
isomorpher Ersatz
3aiwemeHHe H30Aiopdj)Hoe reemplazamiento iso-
resolution
resolving power
resolution; separation
pouvoir separateur
Auflosung
Auflosungsvermogen
pa3pemeHHe
resonance scattering
diffusion resonnante
reversible ; irreversible
Resonanz-Streuung
reflectividad
cnocoSHOCTb
refracci6n
indice de refracci6n
morfo
isomorphous
reversible ; irreversible
pa3pemaioiuaH
cnoco6Hocrb
pe30HaHCHoe paccenHHe
umkehrbar (reversibel)
irreversibel (nicht-
rigid-body vibration;
non-rigid-body
vibration
vibration de corps
rigides; vibration
rock
sel
du
corps deformable
umkehrbar)
Schwingung des starren
Korpers; Schwingung
(substitucidn)
resolucion
poder de resoluci6n
difracci6n de resonancia
oGpaTHMbiii;
Heo6paTHMbiii
reversible; irreversible
KOJie6aHne H<ecTKoro
(He>KecTKoro) Tejia
vibration de cuerpo rigido

de cuerpo no rigido
KaiweHHan cojib
HanpaBJieHHe nponaTKH
sal
peHireHorpaMMa
diagrama de
des nichtstarren
Korpers
salt
gemme
Steinsalz
rolling direction
rotating-crystal
direction de laminage
photograph
rotation camera
tournant
chambre de rotation
Sample
echantillon
sature
Probe; Praparat
saturated
scaler
compteur mecanique
Untersetzer;
diagramme de
cristal
Walzrichtung
Drehkristallaufnahme
BpameHHH
KaMepa BpameHHH
Drehkristallkamera
scaling circuit
circuit d'etalonnage
scaling factor
facteur de mise a
Impulszahler
scaler"-Schaltung
Impulszahlkreis
Angleichungsfaktor
scanning speed
l'echelle
vitesse de defilement
Registriergeschwindigkeil CKOpOCTb
scattering amplitude
scattering angle
scattering, anomalous
amplitude de diffusion
angle de diffusion
scattering, coherent
scattering cross-section
sal
de roca
cristal
giratorio
camara de
o6pa3en, npo6a
HacbimeHHbiii
nepecMeTHoe
yCTpOHCTBO
nepecneTHaH cxeivia
gesattigt
gema;
direction de laminado
cristal giratorio
muestra
saturado
escala
circuito
de escala
KoadjxbHnneHT nepecêTa factor de escala

.
CKaHHpOBaHHH velocidad de barrido
aMnjiHTyaa paccenHHH
Streuamplitude
Streuwinkel
Streuung, anomale
pacceHHHH
paccenHHe aHoiwajibHoe
diffusion coherente
Streuung, koharente
pacceHHne KorepeHTHoe
difraccion (difusi6n)
section efficace de
diffusion
facteur de diffusion
Streuquerschnitt
ceMemie pacceHHHH
seccion eficaz difusora
Streufaktor;
(baKTop pacceHHHH
factor de difusi6n
paccenHHe
HeKorepeHTHoe
fljiHHa pacceHHHH
paccenHHe MarHHTHoe
paccenHHe
M0flH(bHHHP0BaHH0e
paccenHHe HflepHoe
difusion incoherente
diffusion
anomale
yroji
amplitud de difraccidn
angulo de difracci6n
difraccion (difusi6n)
an6mala
coherente
scattering factor
Atomformfaktor
scattering, incoherent
diffusion incoherente
Streuung, inkoharente
scattering length
scattering, magnetic
scattering, modified
longueur de diffusion
diffusion magnetique
Streulange;
diffusion modifiee
magnetische Streuung
modifizierte Streuung
scattering, nuclear
diffusion nucleaire
Kernstreuung
weg
351
AA
extension de difusion
difracci6n magnetica
difracci6n modificada
difraccidn nuclear
7.
ENGLISH
GERMAN
FRENCH
RUSSIAN
SPANISH
selection
self-consistent field
selection
champ self-consistant
self-consistent field"
paccenBaiomaH
poder de difusi6n
cnoco6HOCTb
pacceHHHe, MajioyrjioBoe difusi6n de angulo
pequeno
vector de difraccidn
BeKTop pacceHHHH
CnHHTHJUIHIJHOHHblH
contador de centelleo
CMeTMHK
selecci6n
ot6op
caiwocornacoBaHHoe none campo auto-consistente
self-quenching
auto-coupeur
selbstdampfend
caMoracHiruiH
auto-extinci6n
sensitive
sensitivity
sensible
selbstloschend
empfindlich
Empfindlichkeit
serration
setting (of crystal)
shape factor
sheet texture
dentelure
ajustement (du
MyBCTBHTejIbHblH
HVBCTBHTejIbHOCTb
3y6MaxocTb
facteur de forme
texture de feuille
scattering
power
pouvoir diffusant
Streuvermogen
scattering, small-angle
diffusion aux petits angles Kleinwinkelstreuung
scattering vector
vecteur de diffusion
Streuvektor
compteur a
Szintillationszahler
scintillation
counter
scintillation
sensibilite
Auswahl
Auszackung
(paKTop dpopMbi
sensible
sensibilidad
serraci6n; dentellado
ajuste
factor de forma
cuoeBaH xeKcrypa
textura en capa
o6ojioMKa
cubierta; cortical
protection; apantallado
nocaflKa, ycraHOBKa
shell (electron)
couche (electronique)
Aufstellung
Gestaltfaktor
Walztextur;
Schichttextur
Elektronenschale
shielding
protection; ecran
Abschirmung;
aKpaHHpOBamie
short-life
a faible periode
epaule
monocristal
bloc fritte
Strahlungsschutz
kurzlebig
Schulter
HeflOjn"o
Einkristall
gesinterter
MOHOKpHCTaJIJI
6jiok, nojryMeHHbiii
shoulder
single crystal
sintered block
cristal)
Block
HoiBymuH
ruieMo; 6opT
vida corta
soporte
monocristal; cristal unico
bloque sinterizado
cneKaHHeM
slits,
divergence
slits,
receiving
fentes collimatrices
fentes d'entree du
Empfangerspalt
meJin BbixoflHbie
mejiH BxoflHbie
divergencia de ranura
ranura receptora
Neigung; Gradient
vkjioh; HaKJioH
Aufschlammung; Brei
uxnaMM
pacceHHHe c AiaiibiM
yrjiOM pacceHHHH
paCTBOpHMOCTb
pendiente
pasta
Divergenzspalt
compteur
slurry
pente
pate
small-angle scattering
diffusion
slope
aux
faibles
Kleinwinkelstreuung
angles
solubility
solubilite
Loslichkeit
solvent
solvant
somatic injury
dommage somatique
Losungsmittel
somatische Schaden
source, line
source lineaire
strichformige (Strah-
difracci6n a pequefto
dngulo
pacTBopHxejib
solubilidad
disolvente
coMaTHêcKoe
dano somatico
noBpe>KfleHHe
JIHHeHHblH (pOKyC
fuente lineal
lungs-) Quelle
space group
space,
momentum
groupe d'espace
Raumgruppe
espace des quantites de
Impulsraum
mouvement
Abstand
npocTpaHCTBeHHaH
rpyrma
npOCTpaHCTBO
HMnyjIbCOB
3(D(peKTHBHbIH
npoieH<yTOK
MewriJIOCKOCTHOH
npojwe>KyTOK
yfleJibHbiii Bee
TenjioeMKOCTb
o6pa3en
êp>KaTejib o6pa3ua
MOHTHpoBKa o6pa3ua
HcroMeHHOCTb (e6aeB-
grupo espacial
espacio de
momentos
espaciado (efectivo)
spacing, effective
espacement
spacing, interplanar
Netzebenenabstand
specific gravity
specific heat
poids specifique
chaleur specifique
spezifisches Gewicht
spezifische Warme
specimen
specimen holder
specimen mounting
echantillon
support d'echantillon
montage de l'echantillon
Probe; Praparat
speckle
ponctuation
Praparathalter
Praparatbefestigung
Fleckchen; Kornelung
spectral distribution
distribution spectrale
(in Pulverlinie)
spektrale Verteilung
CKHX JIHHHH) ; TOHKa

cneKTpajibHoe
pacnpeaejieHHe
distribuci6n espectral
effektiver
espaciado (interplanar)
peso especlfico
calor especifico
muestra
portador de muestra
montaje de muestra
punteada (linea)
Kugel
ccpepa
esfera
kugeliger Kristall
C(pepHMecKHH KpHcrajui
cristal esferico
spin nucleaire
etat de spin
tache
carre
defaut d'empilement
platine universelle
Kernspin
Spinzustand
Fleck
cram HAepHbiii
COCTOHHHe cnHHa
nHTHO (peqwieKc)
spin nuclear
estado del spin
quadratisch; Quadrat
Stapelfehler
Universaldrehtisch
KBaflpaT
cristal etalon
ecart type
metre etalon
sphere
sphere
spherical crystal
spin, nuclear
spin state
cristal
spot
square
stacking fault
effectif
spherique
mancha
cuadrado
desorden de apilamiento
OHIH6Ka HajIOKeHHH
yHHBepcajibHWH CTOJIHK
platina universal
Standardkristall
craHflapTHbiH KpHCTajui
cristal
Standardabweichung
craHAapTHaH fleBHanîH
desviaci6n standard
Standard-Meter
schrittweise Abtastung
cnaHflapTHbiH iweTp
cryneHMaTaH pa3BepTKa
metro patr6n
muestreo por pasos
Riihrer
Vorratslosung
MemajiKa
paCTBOp (rOTOBbffl K
agitador
solution base
Verzerrung (elastische)
ynoTpeSjieHHio)
fle(popMauHH
streak
distorsion
trainee de diffusion
Streifen
TpeK; cjiea
strength (of bond)
energie (de liaison)
Bindungsstarke
CHJia,
stage, universal (of
microscope)
standard crystal
standard deviation
patr6n
mittlerer Fehler
standard metre
step-scanning
stirrer
stock solution
strain
exploration point par

point
agitateur
solution en reserve
352
pacnpocrpaHeHHH
npo^HOCTb
tensi6n
traza
fuerza (de enlace)
FRENCH
GERMAN
contrainte; tension
frequence longitudinale
Spannung
stretching frequency
substitution
substitution
Substitution; Ersatz
superconductivity
supracon ducti vite
stress
DICTIONARY OF CRYSTALLOGRAPHY, ETC., TERMS
7.
ENGLISH
;;
(elastische)
Frequenz der Streckschwingung;
SPANISH
RUSSIAN
Hanp>KeHHe
MacToxa npoAOJibHbix
KOJie6aHHH
fuerza
frecuencia de estirado
Streckfrequenz
sustitucion
Supraleitfahigkeit
3aMem;eHHe
noflcraHOBKa
CBepxnpOBOflHMOCTb
Supraleitung
Uberstruktur
CBepxpeuieTKa
super-red
superconductividad
surface tension
surstructure
tension superficielle
synthetic fibre
fibre synthetique;
synthetische Faser
tension superficial
noBepxHocraoe
HaTH>KeHHe
CHHTeTHUeCKOe BOJIOKHO fibra sintetica
system, vibrating
matiere plastique
systeme vibrant
Schwingungssystem
KOJie6aTejibHaH cncreMa
systematic error
erreur systematique
Tacky (sticky)
tape punch
collant
superlattice
Oberfiachenspannung
sistema en vibracion
(KOHTyp)
systematischer Fehler
CHCTeiwaTHMecKafl
error sistematico
omn6Ka
target element
perforateur de ruban
element de l'anticathode
target impurity
contamination de
target surface
l'anticathode
surface de l'anticathode
BH3KHH
klebrig
Streifenlocher
JlffllKHH,
Antikathoden-Material
ajiejweHT aHTHKaTOfla;
Verunreinigung der
Antikathode
Oberflache der Antikathode
MHUieHH
nepcbopaTop
Jieirrbi
pegajoso
perforadora de cinta
elemento del anodo
MHUieHH
3arpH3HeHHe aHTHKaTOfla impureza
noBepxHocrb
del
anodo
superficie del
anodo
aHTHKaTOfla;
MHineHH
tension, interfacial
tension interfaciale
terminal bond
tetragonal
liaison terminale
endstandige Bindung
HaTHH<eHHe Ha noBepxhocth pa3flejia

KOHeMHaH CBH3b
tetragonal
TeTparoHajibHbiH
thermal expansion
quadratique
dilatation thermique
Warmeausdehnung
TepMHêcKoe
pacninpeHHe
thermal vibration
vibration thermique
Warmeschwingung
vibracion termica
thermocouple
Thermoelement
threshold voltage
thermocouple
tension de seuil
TejwnepaTypHoe
KOJie6aHne
Tepjwonapa
Schwellenspannung
noporoBoe
HanpHHteHHe
voltaje
torsion microbalance
microbalance de torsion
Torsions-Mikrowaage
KpyTHjibHbie Becbi;
microbalanza de torsion
Grenzflachenspannung
tension interfacial
enlace terminal
tetragonal
dilataci6n termica
termopar
umbral
TOpCHOHHbie MHKpOBeCbl
transformation;
transition
translation (literary)
transmission
trial
structure
transformation
transition
traduction
transmission
structure d'essai
twin
twinning
made
Unit
maille
maclage
cell
Umwandlung; Transformation; Ubergang
Ubersetzung
Durchstrahlung
Probe-Struktur;
Strukturvorschlag
Zwilling
Zwillingsbildung
Verzwillingung
Elementarzelle Zelle;
;
npeo6pa30BaHHe ;
nepexoA
nepeBOA
npoxoKêHHe ; nepeâMa
npo6Ha crpyKTypa
traduccion
transmision (trasmision)
estructura de prueba
ABOHHHK
ABOHHHKOBaHHe
macla
maclado; maclacion
ajiejweHTapHaH HMeiiKa
celda unidad
transformacion
transicidn
Einheitszelle
universal stage
unmodified scattering
platine universelle
diffusion sans change-
ment de longueur
yHHBepcajibHbiH ctojihk
Universal-Drehtisch
unmodifizierte Streuung; HeMOAHCpHUnpoBaHHoe
klassische Streuung
platina universal
difraccion no modificada
pacceaHne
d'onde
useful
beam
Vacant
site
vacuum
valency angle
variational
wave
function
nojie3HMH nynoK
haz
Leerstelle
BanaHTHoe Mecro
Vakuum
BanyyM
lugar vacante
vacio
angulo de Valencia
faisceau utile
nutzbarer Strahl
lacune
vide
angle de liaison
fonction d'onde
variationnelle
Bindungswinkel;
Valenzwinkel
durch Variations-
methoden erhaltene
BajieHTHbiu yroji
util
BapHaunoHHaH BOJiHOBan funcion de onda

variacional
dpyHKUHH
Wellenfunktion
vertical
vertical
vertikal; senkrecht
vibrational spectrum
spectre de vibrations
Schwingungsspektrum
volatile; volatilize
volatil
volatiliser
fliichtig;
verdunsten
353
AA*
BepTHIOJIbHtlU
BHSpaiuiOHHbiu cneKTp
JieTyHHH ; B03rOHHTb
vertical
espectro vibracional
volatil; volatilizar
7.
DICTIONARY OF CRYSTA LLOGRA PHIC, ETC., TERMS

BOJiHOBan cbyHKUHH
3MHCCHOHHaH flUHHa
Wave-function
fonction d'onde
wavelength, emission
longueur d'onde
wavelength unit
unite de longueur d'onde Wellenlangeneinheit
eflHHHUa AJ1HH BOJIH
wave-number
wedge
weighted mean;
nombre d'onde
BOJIHOBOe HUCJIO
KJIHH
Wellenfunktion
Emissionswellenlange
d'emission
BOJIHbl
Wellenzahl
coin
Keil
moyenne ponderee
gewogenes Mittel;
mit Gewicht versehen
melange humide
fenetre
feuchtes Pulver; Brei

Fenster; Offnung
workload
regime
Zero-point energy
energie au zero absolu
weighting
wet-mix
window
(tube; analyser)
funcion de onda
longitud de onda, emision
cpe^Hee B3BemeHHoej
B3BeinnBaHHe
MOKpan CMect; nacTa
unidad de longitud de
onda
numero de onda
cuna
media ponderal
Belastung
OKHO
paSoân Harpy3Ka
mezcla humeda
ventana
carga de trabajo
Nullpunktsenergie
HyjieBaH aHeprHH
energia de punto cero
354
Section 8
GENERAL SUBJECT INDEX

FOR
VOLUMES I, II, and III
General Subject Index for Volumes
8.
Abelian groups
bent-crystal
aberration in precision measurement: II 220-225

abrasion chamber: DI 6
absent reflections. See extinctions.
absolute configuration: I 539; HI 7
intensity measurement: DI 134

HI 134. See also scale
X-ray wavelengths: HI 41-44
scale:
factor.
161-192
calculation: m
X-ray tube windows,

of
193
corrections: 291-312; IH
194-199, 300-316
See
edges: m 60-65,
158, 171-173, 176-192.
K,L.
error in precision measurements: 218
measurement: HI 160
for neutrons: HI 197-199
for X-rays: 157-196, 199
;
68, 159,
etc.
filters,
III 74,
133,
II
71,
also
II
III
abstract groups II 29
accuracy, assessment of: II 84; III 39, 44, 153
additivity laws for absorption: III 157-158
:
adhesives for specimen mounting:

algebra: II 6-35
HI
H
:
n
Calculus: H 50-51
properties: IH
HI 277-284
complex form of structure factor:

numbers: H 6
11
analytical geometry, plane: II 41-43
Compton
H 43^19
41-44
IH
contrast on X-ray film: III 134

controlled area: III 333
conventions: I 346
convergents, algebra of: II 7-10
scattering amplitude for electrons: HI 216-227
converse cotangent formula: II 103

conversion of degrees to radians and vice-versa: II 430-432
of minutes to decimals of degree: HI 100
of wavelength units III 40-44
convolutions: II 67, 68, 81-83, 86, 318, 323, 325
co-ordinates: I 10, 47, 48, 52, 58-346, 353; II 33-35
co-ordination numbers: III 257-269, 278-284
polyhedron III 9
correction of intensities: II 265-314; HI 135-143, 301-316
factor for X-rays: I 353; II 70, 237, 318, 323; ffl 159,
201-209
structure: IH 45 (Chart
weights: IH 45 (Chart
2.1.3),
249-252
2.1.3)
automatic recorder: III 144, 154-155

Avogadro number: III 40, 45
axes: I 10, 346
axial angles: I 6-9, 11-13
glide planes I 49
ratios: I 6-9, 11-13
back-reflection
II
216-234; III 123
HI
153
counter-diffractometer method: II 220-226; III 86, 133, 297.
counting rate and strategy: III 153-155
co variant and contravariant quantities: II 54-55
critical excitation voltage: III 59, 71
cosmic rays:
film or counter: III 73, 135, 140, 151-155, 232

method: II 162, 164, 166, 218-220; IH 133
method: II 330
balanced filters (Ross technique): IH 73, 78-79, 161
barn unit of neutron scattering cross-section HI 228
back-shift
of spacings:
Background,
333-336
135
antiferromagnetism: IH 9
approximations for structure refinement: II 328-330
for trigonometrical functions II 38-39
Archimedes' method of density measurement: III 18
147
aspect (Donnay-Harker) symbols: I 348;
asymmetry of scattering factor: II 70, 323; III 201
atomic absorption coefficient: HI 157, 158, 161, 166-169
conditions limiting possible reflections: I 55, 58-346

confidence intervals (ranges, levels, etc.): II 90-94; III 153
32-33
containers for powder specimens:
contaminant lines: IH 75, 134-5
contaminants, common crystal: HI 34
of monochromatized X-ray beam: HI 75-77, 79
continuous X-ray spectrum: III 59, 73, 151, 293
scattering: IH 135, 159, 213-216
II 177;
(incoherent) scattering: III 135, 158, 232, 247-253
236-243
anisotropy of vibration: II 326-328;
anomalous absorption: I 347, 539-540; III 133, 158, 213
method:
I 353
computing of counting rates: IH 153-155

by large-scale machines: II 336-337
by strips, charts and optical methods:
angleoftilt:HI81
11, 13
amplitude relationships: I 357-525

I 354
anti-equi-inclination
of scattered wave:
unit: III
HI
Angstrom
102; HI 6, 80
cleavage:
clinographic projection I 48
342-354; HI 277-284
close packing:
coarseness of powders: HI 194-196, 199
coherent scattering: HI 135,. 201, 248
collimation of X-ray beam: II 161
solid:
Russian: II 435
alternating axis I 22
amplification: IH 144-149
185; III 122
carbon; bond lengths with other elements: III 275-276

, Compton scattering from: HI 252
mass absorption coefficient: HI 160
Cartesian rotation matrices: II 63
222-225; IH 42-43
centre of gravity of X-ray peak:
356-359
centro-symmetry: I 22, 42, 347, 356-357;
characteristic temperature: fl 241 ; HI 233-241
267, 335; HI 44-45, 68
charts and tables, use of:
chemical analysis
IH
calibration techniques:
Callier effect: IH 141

capillary tubes: HI 32-33
analysis, chemical:
monochromators.
22-31
allotropes of metals; temperature ranges:

125, 194,277
alloys:
435
alphabet, Greek:
crystal
177-181
birefringence: IH 7, 299
blackening of film: HI 134, 141
blood count: IH 334
boiling points of elements: HI 45-58
bond length and angle calculations: II 60-62, 331
70, 323, 326; in 6, 125, 236, 243
bonding anisotropy:
brackets, braces, etc. I 10
335
Bragg-Lipson charts:
Bragg relation: I 353
163, 194-201, 267
Buerger precession method:
182-184, 203, 206-215
Bunn charts:
modular: II 7-8
monochromators. See
Bernal charts:
absorption; relation to size and shape of crystal: II 291-312;

III 5, 194-196, 199
194-196, 199
special cases:
characteristics
III
base systems: II 53-54
29-30
II
I, II,
crystal classes,
names and symbols:
detectors: HI 144
357
I 29,
44

crystal habit
enantiomorphy:
III 6
196
crystallites in grain: III
crystal
monochromators
specimen, description
structure of elements:
III 73,
79-88
III
298
45-58
packing: 349-352; 277

group:
30
interchange: 34
cylindrical co-ordinates: II 175
Laue chart:
174
techniques:
161-163, 167-181, 184;
specimens, use
298, 300
II
method: II 177, 266, 299; III 135-140. See also

Weissenberg method,
equivalent positions: I 46-48, 52, 58-346, 353
errors, random and systematic: II 84-95, 218-227; III 39, 133,
160, 236, 257
escape peaks: III 147, 152-153
estimated standard deviation. See standard deviation; variance,
etch-figure symmetry: I 40, 41 ; III 11
etching: III 299
equi-inclination
of: II 161; III 6,
cubic: I 306-346, 489-525, 544, 553; II 119-149.

system.
elements; vibration factors: III 233-235, 237-239
cyclic
See also
III
II
film,
Eulerian cradle: II 177; III 35

Ewald sphere (sphere of reflection): II 175
II
II
III 89-121, 133,
296
excitation voltages: III 59, 71
expansion. See thermal expansion,

exponential form of electron density: I 353
of structure factor: I 353
of: III
Debye
See characteristic tempera-
characteristic temperature.
function, table II 362-365

exposure dose: HI 333-338
photographic: 141
ture.
of:
See thermal vibration.

theory: 241, 264-265; 233, 236
factor.
II
III
extinction: II 313;
film: III
extrapolation in
powder method:
See also diffraction symbol.

II 225-232;
HI
129
Ferrimagnetism: HI 9
HI 10
ferromagnetism: HI 9
festoon (Weissenberg): II 101
141-143
ferroelectricity:
49
554-558; II 433^44;
fibre axis:
II
HI 341-354
characteristics: III
50-51
differential calculus: II
synthesis: II 320-321, 330

diffraction (Buerger) symbols:
346-352
methods,
161-163
on cylindrical film: 177-181
on plane film: 177
on sphere: 176
II
of X-ray beam: II 161-163; III 73-79, 134, 161

filters, preparation of: III 77-78
finite series correction: II 330; III 322
fixed-crystal diffraction methods: II 161
flat-cone method: II 177. See also Weissenberg method.
flat sheet specimen:
301, 307-312; III 299, 300, 302-315
filtering
I 52,
classification of: II
II
II
II
diffractometer: II 220-226; III 28

diffuse scattering: II 161
III 80, 133, 135, 232, 233, 244,
methods of phase determination:
photomultipliers
sine formula: 103
:
II
247
flotation
row
method: in 18
flow proportional counter: HI 153

fluorescence absorption coefficient: in 158
from specimen, etc.:
74, 76-77, 135, 152, 158
X-radiation: III 84, 135
358
III 144
II
plane normal, etc.: II 101-102

discrepancy index: II 332; III 133, 233
discrimination, electronic: III 149-152
disorder: II 161, 326; III 232, 236, 243-244, 247
dispersion correction for/: III 213-216
in error measurements: II 85, 218
distributions, one-dimensional (binomial, Poisson's, normal,
etc.): II 86-88
, multi-dimensional: II 88-89
divergence of primary beam: II 217; III 297, 322
divergent-beam (Kossel) method: II 161, 174
technique for texture studies III 297, 301
dose rate: III 333-337
direction cosines of
HI 289-296
method: 163; in 294-296

texture HI 289-296
film
134, 193
density: m 141
pack. See multiple film pack.
shrinkage: 218
difference syntheses: II 328
direct
196
HI 232
10, 111, 582, 1957.
glide: I
dictionary: I
5, 133, 157, 159,
extinction symbol: I 52, 347-348.
determinants: II 11
determination of space group: I 347-352
diad: I 50
diagonal glide: I 49
diamond
extinctions: I 52-55, 58-352;
density: III 11, 17-19, 45-58
of
III
Debye-Scherrer-Hull method: II 163, 202-215, 217-218; III 28,

89-99, 142, 318-323
De Jong-Bouman method: II 198, 201, 267
Delaunay reduction: I 530-535. See also Errata, and Acta
Cryst.,
I 22, 42, 349, 539; III 7
epitaxy: III 11
line,
fluorescent screens:
in 336
focusing methods:
218; III 82-86, 134
focus of X-ray tube: II 161
fog on X-ray film: ffl 134, 141
particle: III 324

forms of planes: I 31
Fourier series methods: II 75-80, 328-331, 333-337; HI 134
theory: II 65-83
319, 322, 325
transforms: I 354; II 66-73, 322-325;
8-10
fractions, simple continued:
Fresnel integrals III 322
Friedel condition (law): I 52, 347, 354, 539
form factor of
Laue patterns: II 165

space-group symbols I 58-346, 542-553
functions of wavelengths HI 59, 66-68
fundamental mathematics II 3-98
front-reflection
Elastic constants: II 241
III
233
full
electrical properties: III 10, 13
electron density by small-angle scattering: III 324
formulae: I 353-525; II 318-321

diffraction apparatus, radiation hazards of: III 337
electronic discrimination in counter technique. See discrimina-
distribution: ffl 153, 318, 319, 321, 327

Geiger counter: II 162, 176, 220; ffl 144-156
general conditions: I 53, 58-345
co-ordinates of equivalent positions. See equivalent posi-
Gaussian
tion.
of atoms and ions:

Chart
electrons, scattering amplitudes
by: 237
state
III
250-252
216-227
2.1.3, 45,
for: III
tions,
genetic injuries: ffl 334

geometrical structure factors
II
elements, properties of: III 45-56
358
354-525

geometry, camera: II 161-163; III 85, 134, 142, 321
crystal: II 99-158
plane analytic: II 4143
international temperature scale: III 56

interplanar angles: II 106-109, 112, 116, 119-122
spacings (distances): II 102, 106-109, 115, 116, 123
43^9
solid analytic: II
glide-reflection lines
inversion. See symmetry.
ionization spectrometer: II 162, 176;
planes I 49
:
gnomonic
HI 232
atoms:
interstitial
45
HI
144, 336
isomorphism of groups: II 30
isomorphous series III 9
net: II 167
gradient tube: III 17, 19

grains of powder particle: III 196, 299
Greek alphabet: II 435
isotope ratio: ffl 45 (Chart 2.1.3)
on X-ray
isotopes, effect
Greninger chart: II 167

grinding of crystal: III 5
groups: I (whole volume); II 29-35.
See also
line-, point-,
HI 232
IH 229-232
scatteriHg pf
scattering of neutrons by:
Johann and Johansson-type monochromators:
III
82-85
space-.
Guinier camera: III 85, 142
Kind
Habit: III 6
hand (change
of, left-, right-): I 22, 349,
539
hardness III 6
:
harmonic faces: II 103

harmonics in monochromatized beam: III 79, 150-151
hazards. See radiation hazards.
(of operation, first, second): I 22, 23

Klein-Nishina scattering expression: ffl 160-161, 174
knife-edge calibration: II 218
Kossel method: II 161
A-wavelengths, emission and absorption: ffl 59-62
kX units: ffl 42-44, 59
Lamb
H-bonds:III125
HI 334
of X-rays: HI 232
heating effect
shift
ffl
42
Bravais: I 6-9, 12-13; II 101

constants of metals: ffl 277-285
lattice,
health surveillance:
hexad: I 50
hexagonal axes: I 251-275; II 112, 115
close packing: II 349, 353; III 237-238, 278-283
(2-dimensional) system: I 6, 68-72, 371-372, 542
(3-dimensional) system: I 7, 276-305, 473^89, 544, 552;
II 112-115
Huggins masks: II 335
hydrophilic and hydrophobic components of density-gradient
columns: III 19
hygroscopic crystals: III 5
of standard crystals: ffl 122-123
I 6, 45; II 101
101
2-dimensional: I 6, 46;
, 3-dimensional: I 6, 47, 51-53; II 101
, historical account of: I 1-5
reciprocal: I 11-14; II 101-103, 106-109, 112, 116, 119, 175
Laue method: II 161, 164-174; IH 135, 290
Laue-symmetry groups: I 30-34, 42, 347-352
layer lines:
102, 175; ffl 89, 101-121, 136-140, 142, 294
1 -dimensional:
leakage of radiation:
least squares,
method
IH 336
of:
n 92-94,
326-328, 330
linear absorption coefficient: III 157-158, 194
IRCP
(International
equations: 16-22
146-149
of counter system:
of photographic response:
breadth: HI
247, 318
groups two or three dimensions
H 220-225;
135,
Commission on Radiological Protection):
II
IH
ICRU
333, 338
(International
ffl 134, 140, 141
Measurements): III 333, 338
in
101-121
immersion media:
HI
144
location,
III 14-15, 19
method:
measures of:
56
154, 247, 319
ffl 133,
profile:
H 85
monochromator:
III 83
266-290; III 68, 136-140
Lorentz-polarization factors:
/.-wavelengths, emission and absorption: in 59, 63-65, 71
logarithmic-spiral
impurities: ffl 6, 17, 125, 133, 135, 232

incident beam geometry: II 161, 218; III 321-322, 329
inclined-crystal
133,
line
identity period (repeat or translation distance): II 101; III 89,
image-intensifier tubes:
III
linearity
Commission on Radiological Units and
II 162
inclusions in a crystal matrix: III 135, 194
incoherent intensity: III 247-253

independence, linear and rational: II 7
index of space-group symbols I 542-553
inequalities: I 540-541; II 358-360
infra-red absorption (reflection) HI 8
inorganic compounds, Debye parameters for:
interatomic distances in: III 257-274
Magnetic
mass absorption coefficient: ffl 157, 162-165, 175-192

7
mathematical constants:
matrices: I 15-21; II 11-16
maximum permissible doses: ffl 333-334
85-86
mean:
mechanical properties: ffl 6-7, 12
median: II 85-86
melting points: III 10, 45-58, 125
metallic bond: III 249, 277
in 240-241
integral calculus: II 51
integrated intensity formulae: II 314;
HI
142, 195
n 265; IH
133-155
intensifying screens: HI 134, 298
intensity formulae: II 314
measurement: HI 133-156
of characteristic line: ffl 59, 68, 71
ratios, after filtering: III 73-76
, for emitted X-radiation: ffl 68, 71
reflection:
metre, definition of: HI 41

microdensitometer: ffl 141-142
microscope, use of: ffl 5-7
microtechniques: IH 133
Miller formulae: II 103
102
indices:
interatomic and intermolecular forces: III 125, 233
distances:
III
compounds
III
257-274
mirror
compounds:
III
line: I
plane:
III 59
24
I 22, 23, 25
mixtures of powders absorption in: III 194-196, 199
in metals: III 277-285

in organic
minimum wavelength formula
257-285
in inorganic
properties: ffl 9, 13
scattering of neutrons: ffl 227-228, 232
275-276
mode:
intermittency effect: III 141
359
II
85-86

molecular crystals: III 236, 242-243
III 9, 125
II 324
momenta of atoms in a scatterer: III 247
monad: I 50
monitoring of X-ray beam: III 134
of personnel: III 335-336
monochromatization: II 161-163; III 73, 79-88, 160-161, 232
monochromators: III 79-88, 319, 321
monoclinic: I 7, 76-101, 374-384, 543, 545; II 107. See also
Packing:
orientation:
transforms
periodicity: II 101
periodic system: III 44-45 (Chart 2.1.3)

perpendicularity condition: II 106-109, 115, 116, 123
personnel monitoring: III 335
phase convention: I 353
III
135-
140
relationships:
moving-single-crystal diffraction methods: II 162-163, 175-201;

III
photographic methods of intensity measurement: III 133-143

photometry: III 141-143
photomultiplier tube: III 144-145
photosommateur (von Eller): II 335
physical properties: I 41^3, 349, 539; III 45-58, 289, 299
piezoelectricity: I 42, 43; III 10
plane-film techniques: II 161-167, 178-179, 184; III 133, 296
plane groups in three dimensions I 56
planimeter trace: III 154-155
plasticity: III 7
plateau (counter): III 149
pleochroism III 7
point groups: I 22-44; II 30-32
symmetry: I 22, 47, 52, 58-345
polarity: I 43, 349
polarization of monochromatized beam: III 81
of scattered radiation: II 237-240
polar stereographic net: II 164
pole density and pole figures III 289-300
polynomial equations II 26-29
possible reflections: I 52-55, 58-346
potential, scattering of electrons by: III 216-227
scattering of neutrons by: III 228
powder method: 1 31, 34; II 163, 202-215; III 21-29, 89-99, 133,
135, 194-196, 199, 318-323
precession method: II 163, 194-201, 267
precision measurements: II 216-234 (see also Errata); III 122-
multiple-exposure method: II 162; III 85, 140

multiple film pack: II 162; III 134, 140
multiplicity factors: I 31-34
Net: I 6, 46; II 101. See also lattice, 2-dimensional.

neutron diffraction and absorption: III 9, 197-199, 228-232
apparatus, radiation hazards of: III 334, 337-338
flux: III 334
scattering amplitudes: III 228-232
node: II 101
noise (counters): III 153

nomenclature: I xi, 10
method: II 194, 198-199

for density measurement: III 18
for Weissenberg method: II 185, 190-191
non-cubic elements, vibration factors: III 236, 237-239
normal-beam method: II 176, 266. See also Weissenburg
method,
for Buerger
notation II 32. See also symbols,
330
nuclear magnetic resonance III 9
nuclear scattering of neutrons III 228-232
nuclear spins of elements and isotopes III 228-232
numbering of space groups I 46, 47
number of equivalent positions I 58-346
n-shift rule: II
Oblique (2-dimensional) system: I 6, 58, 368, 542

incidence on film: III 133, 136-140, 142-143
129
;
of specimen:
21-33
52-53
primitive
530-535.
reduction
unit
51
III 5,
lattice: I 8,
probability theory: II 84-95

probable error: II 85-95
12,
optics: I 41
size
See also Delaunay.
cell: I 8, 9,
II
III 5,
to: I
triplet,
analogue methods 335

properties:
7-8,
299
:
preferred orientation: II 301 III 133, 289-317

preparation of 0-filters III 77-78
opacity: III 8
operating voltage III 59
operational techniques: III 337
operators. See symmetry,
optical activity: I 41, 42; III 7
optimum
354-525
photoelectric absorption coefficient: III 158-159
135-140
nomogram
system,
morphology: I 41, 349, 539; III 6, 12, 299

mosaic crystals: II 313; III 125
Mossbauer effect III 85
mounting of crystal: III 5, 21-31
moving-film diffraction methods: II 162-163, 185-201;
342-354
II
parafocusing cameras III 28

parametral face: II 102
particle size: III 28, 194-196, 199, 318-323
effect on absorption: III 194-196, 199
statistics: III 320
Patterson functions: I 526; II 318, 319
Harker functions I 527
synthesis: III 134
peak: background ratio: III 59, 73-74, 77, 150-154
intensity: II 222-227; III 59
perfection of crystal: II 313
processing of X-ray film: III 134
of specimen: II 299-300; III 155
orbital transforms: III 213
production of X-rays III 59
order of group symbols: I 24, 28, 29, 46, 47, 55

organic compounds, Debye parameters for: III 236, 242
thermal expansion of: III 127-128
orientation errors: III 28, 133
of axes in diagrams I 48
of single crystal: III 290
origin: I 58-345, 356-358
change of: I 527-528; III 322
orthographic projection I 48
orthohexagonal unit cell: I 18, 19, 21
orthorhombic: I 7, 102-166, 384-415, 544, 546-549. See also
projection symmetry: I 38-40, 55, 74-166

techniques: II 164-174
proportional counter: II 162; III 144-156
proportional parts II (separate card)
protection against radiation: III 333-338

pulse-amplitude discrimination: III 73, 77, 147-152
distribution: III 148
pycnometry: III 18
pyroelectricity I 41; III 10
Quadratic form:
oscillation
oxygen,
quantum-counting
method:
Compton
II 106-111, 113-118,
quantitative analysis
system,
II 162; III 133, 290
scattering for: III 252
III
efficiency (of counter): III 150
quick reference table 6
360
123-146
v.
d: II
204-205

Radial
settings of monoclinic system: I ix-x, 21, 55, 545
distribution: II 349-353
shape factor for cubic crystals: HI 318

of specimen: HI 5, 195, 298, 318, 324-325
shape transforms: H 325
radiation hazards: HI 333-338

protection. See protection against radiation.
m 333
survey: m 336
officer:
radioactive tracer
method of measuring
intensities:
HI
sheet texture:
289, 291
shielding: HI 336-337
133
45 (Chart 2.1.3), 86, 153, 281

radius of gyration of simple solids: HI 327
333-334
rad, rem, rontgen, RBE, RBE dose:
Raman effect: HI 8
significance tests:
random
site
radioactivity:
H 90-95
H
358
signs of structure factors:
simplified structure factor formulae: I 355-525
366-378
326
occupation factor:
299-300; HI 194-196, 199, 298-299. See
size of specimen:
also optimum size of specimen,
85-86
skew-symmetric distribution:
tensors
56
163;
small-angle scattering:
33, 80, 324-329
solid solution: HI 125, 243-244, 277
223; HI 161
Soller slit system:
somatic injuries: HI 333
33-35
space groups: I 45-525;
323-325
transforms:
spacing versus Bragg angle; quick reference table: II 204-205
special conditions: I 53, 55, 58-346
equivalent positions: I 47
reflections: I 53-55
specific heat: HI 10, 233, 241
220-222; in 5-36
specimen:
spectral distribution: HI 73-74
sensitivity of films and counters: III 74, 135, 147
175
sphere of reflection:
299-305
spherical specimen:
40
trigonometry:
square (2-dimensional) lattice: I 6, 65-67, 371, 542
standard crystals, for calibration: in 122-123
85-91, 326, 330-332; III 39, 153, 160, 257, 275
deviation:
settings: I 53, 346, 543-553
statistical accuracy: HI 79, 133, 153
density fluctuations on X-ray films: in 141-142
model of atom structure: HI 201, 210-212, 217, 220-221
tests for symmetry: I 539-40; II 355-357
84-95; HI 153, 199, 318-323
statistics:
stereochemistry: HI 11
164-167, 176;
stereographic projection: I 26-28;
representation of point groups: I 26-28
See errors,
random-orientation methods:
(sin x)/x table:
errors.
II 163,
rate-meter recording: HI 144, 154

Rayleigh (coherent) scattering: HI 158-160
1*63.1
Cf*VSt3.1 *2
TT 31*?
175
in
133, 233.
See
on
film:
HI
141
HI 125, 232, 318

Straumanis film arrangement:
186 (see also Errata), 192-193
HI 290, 300
strain:
rules of precedence of symbols: I 47, 55, 346, 543
Russian alphabet:
101, 175
indexing chart:
rhombohedral axes: 1 18-21, 251-274; H 116-118

rhombohedron, obverse and reverse: 1 20, 53; n 150
rhombus: 16
rolling direction: HI 289
Ross filters: HI 78, 161
rotation. See symmetry.
method: H 162
rotatory-inversion. See symmetry.
row: I 6, 45; H 31, 101. See also lattice, 1 -dimensional.
line:
H
H
resolution of X-ray spectra: III 134

resonance scattering of neutrons: HI 228
reversal
See symmetry.
58-346
refraction of X-rays:
226; HI 68, 123, 159
refractive index (visible light): HI 7, 14-15
46-49
regular solids:
Renninger effect: II 161, 162
restrictions: 1 47, 55,
332;
reflection.
reciprocal-space symbols:
175
reciprocity law: HI 141
248-249
recoil factor (Breit-Dirac):
recording devices: II 161
rectangular (2-dimensional) lattice: I 6, 59-64, 368-370, 542
refinement techniques: II 326-332
residual {miscalled reliability factor):

also discrepancy index,
reciprocal lattice: I 11-14; II 101-103, 106-109, 112, 116, 119,
202-215
H 435
strip chart recorder:
HI
185
144, 155
use of for Fourier calculations: II 333-335

structure amplitude: II 241
strips,
Sampling:
H 89-91
satellite radiation:
scale factor:
HI
353-525; H 241
type of metals: HI 278-284
73, 79, 135
H 326-329,
355;
HI
factors: I
134, 294, 320
HI 146
scanning speed: HI 154-155
216-227
scattering amplitudes for electrons:
angles, tables relating to: HI 89
coefficient: HI 158
of neutrons: HI 227-232
power of atoms. See atomic scattering factor.
Schoenflies symbols: 1 44, 47, 74-346, 374-524, 543, 545-553
scintillation counter:
162; HI 144, 146-152
screening of X-ray film: HI 77
screw axes: I 50
secondary extinction. See extinction,
selection of counter tube: HI 144-146
of specimens: HI 5, 155, 298
of X-ray film: HI 134, 140-143
semiconductors: HI 249
6-7
series:
194-200
setting constants for Buerger (precession) method:
187-191
for Weissenberg method:
setting of crystal by X-rays: HI 35-36
sub-groups, super-groups: I 35-37, 536-538; II 30

314
summary of intensity formulae:
scaling circuit:
superlattice:
H 31
symbols, diffraction: I 347-352
for 3-dimensional
and unit
for 2-dimensional space groups 58-72
for 3-dimensional space groups 74-346
for absorption: HI 157
for brackets, square brackets, braces: 10
for close packing: n 344-349
for
patterns and reciprocal space:
Errata)
for elements: HI 45-56
for neutron
228
for
IH 318
for physics of
237
methods:
for scattering of electrons: 216
for small-angle
HI 324
for
methods: n 355
for symmetry operators: 23-30, 44-52, 55
cells: I
lattices
1, 2,
6-8
diffraction
scattering: III
particle size statistics:
II
diffraction
III
scattering:
statistical
361
II 175 (see also

symbols for texture of polycrystalline material: in 289
for vibration factor: 233

for index of space group 542-553
used in Volume
344-349
symmetry of close packing:
point-group: 22-43, 46
space-group: 45-46
of system: 1 11
:
units:
I xi
HI 39-44
universal physical constants: HI 39-40

uses of various diffraction techniques:
II
Vacant
system: I 7, 10-11
systematic errors. See errors.
sites:
variable,
III 68, 74, 134

temperature factor. See thermal vibration.
(high or low) techniques: III 21-34, 129
tensor analysis: II 52-64
tetrads: I 50
tetragonal: 1 7, 167-248, 415-461, 544, 550-551 ; II 109-111. See
H 326; ffl 125, 232

H 84
H 313; in 125,
141, 289-317
mapping: 296-300
thermal expansion: II 226;
vibration (parameters, factor):
visible light:
HI
134
7, 8,
visual estimation of intensity: ffl 141
voids:
H 344; ffl 194,
196, 199
volatile crystals: ffl 5
voltage, excitation: ffl 59, 71
volumenometry: ffl 19
volume transformations:
also system,
III
125-129
I 353; II 241-264, 327, 355;
161-163
84-94. See also standard deviation.

52-64
vector analysis
vessels to hold specimens: ffl 32-33
vibration amplitudes: ffl 232, 237
variance:
Target impurity:
random:
:
texture:
Unitary structure amplitude:

241, 358
unit cell: I 7, 8-9, 11-21 ;
101
dimensions for standard crystals: HI 122-123
III
unit cell: 1 13;
1 19
H 101,
106-109, 112, 116, 119
III 11, 123,
thermodynamic properties: in 10, 13, 125

Thomas-Fermi-Dirac calculation of/: ffl 201, 210-212, 217,
220-221
threshold of continuous spectrum: HI 59
of counter plateau: HI 145, 149
time constant of ratemeter: HI 154
22-26
transcendental equations
transformations: I 15-21, 527-529, 530-535; II 150-157
(transitions):
125, 232, 243-244
translation elements: 1 49-50
31. See also lattice.
groups:
transmission factors in intensity formulae: II 291-294, 299, 306312
of various materials: III 193
triad: I 48, 50
trial-and-error method I 356, 358
triclinic: I 7, 74-75, 374, 543, 545; II 106. See also system.
trigonal: 1 7, 249-275, 462^73, 544, 552; II 112-118. See also
Warning
wavelengths; K, L emission, absorption: ffl 59-65

ratios of selected: ffl 68-70
useful functions of: ffl 59, 66-68
115
Weber 4-index symbol:
91-92, 326-328
weighting of values:
Weissenberg method: II 162, 185-193; III 89, 133, 135-140
white radiation. See continuous X-ray spectrum.
window of tube: ffl 71, 193
Wyckoff co-ordinate tabulation:
X-ray chemical
40-41
twinning: II 104-109, 115, 116, 123;
I 353
58-346
analysis apparatus: ffl 336
diffraction
ffl
of: ffl
film,
also
ffl
of: ffl
Zero-point energy: ffl 232-241, 244
101
zone: 1 10, 15;
102-103
law:
II
HI
52,
336
apparatus: n 161-163;
choice
133, 140
wavelengths: HI 41-44. See wavelengths.
39-44
X-unit; conversion to A:
definition
41-44, 65
notation: I 47,
system,
36-41
trigonometrical formulae: I 360-361;
functions, tables of: II 379-429. See also Errata,
trigonometry, plane: II 39-40
spherical
workload: HI 336
wrapping papers, transmission of X-rays by: in 193
Wulff stereographic net: H 167; ffl 292
signs, signals: ffl 333
wave functions of atoms: HI 201-209, 248-252
HI 232-244
5-6, 133
362
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VOLUME
III

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THE INTERNATIONAL UNION OF CRYSTALLOGRAPHY

THE KYNOCH PRESS

Set in 'Monotype' Times

printed in Great Britain

THE KYNOCH PRESS

edition, reprinted with corrections

PHYSICAL AND CHEMICAL TABLES

Kathleen Lonsdale (Chairman)

The publication of Volume

of these Tables was

possible by very generous financial help

and from the U.S.A. National Research Council. This

possible the publication of

to express its sincere gratitude to both these organizations.

H. MacGillavry and G. D. Rieck)

Purpose, Scope and Arrangement of the Tables

Examination and Preparation of Specimens

Study (C. H. MacGillavry and

of Specimen and Preparation for X-ray Work

Determination of the Density of Solids (F. M, Richards and

Methods of Preparation and Mounting of Specimens (A. E. De Barr, H.

about a Rotation Axis

Angle to the X-ray

Crystal Settings by X-rays (continued)

1.5.4. Crystal Setting for Incident

Statement of the Problem

and Diffracted Beams to be always

Given Plane (Use of

X-RAYS AND THEIR INTERACTION WITH CRYSTALS

Constants and Units. Elements and their Properties

Cohen and A. G. McNish)

Table 2.1.1. List of some Universal Physical Constants

2 A. 2.4. Spectral Distribution

System of the Elements

at the Paris Congress,

Properties of the Elements (K. Lonsdale and G. D. Rieck)

Stockholm Congress, 1951

of Crystallographic Practice in the Use of Units

(d) Decisions taken at the

Relation to X-ray Wavelength and Precision Spacing

2.1.2.5. Historical Outline

Wavelengths of K-emission Series and Absorption Edges

and Excitation Voltages for some Target

and Excitation Voltages

2.3.1.1. Spectral Distribution at

Target Surface and as Observed

2.3.2.1. Single Filters

Table 2.3.2C. Effect of Ni Filters on CuK^ and

Table 2.3.2 D. Calculated Thickness of Ross-filter Components for Commonly-used Radiations

Tables relating to Scattering Angles (E. L. Eichhorn and G. D. Rieck)

Separation vs Identity Period

Table 2.4.3B. Ditto for r= 30-00

Standard Crystals for Calibration Purposes (G. D. Rieck and K. Lonsdale)

Measurement and Interpretation of Intensities

X-ray Intensity Measurements (K. Lonsdale and C. H. MacGillavry)

Absolute Intensity Measurement

Photographic Intensity Measurements

Table 3.1.2.6B. Correction Factors for Oblique Incidence

Cosmic Rays and Radioactivity

and Constant-angular- velocity Methods

3.1.3.10.4. Crystallite-size Effect

X-ray Absorption (B. Koch and C. H. MacGillavry)

Table 3.2.2B. Atomic Absorption Coefficients