APPENDIX 13

CRYSTAL STRUCTURE DATA

(N.B.
The
symbols
Al, Bl, etc.,
in this
Appendix
are those used in Strukturbericht
to
designate
certain common structural
types.)
TABLE A13-1 THE ELEMENTS
(cont.)
*
Ordinary
form of an element that exists
(or
is
thought
to
exist)
in more than
one form.
482
APPENDIX 13
CRYSTAL STRUCTURE DATA
(N.B. The symbols AI, RI, etc., in this Appenoix are those useo in Strukturbericht
to oesignate certain ('ommon structural types.)
TABLE A13-l THE ELEMENTS
Lattice
Temperature Distance
Element and
Type of structure
parameters (A)
c or axial for which of closest
modification
angle constants approach
a b
apply
(A)
Actinium
Alabomine See Francium
Aluminum
FCC, Al 4.0490
20C 2.862
Americium ,
Antimony
Rhombohedral, AI 4.5064 51'6.5
20C 2.903
Argon
FCC, Al 5.43
5349'
- 233C 3.84
Arsenic
Rhombohedra I, A7 4.159
20C 251
Astatine
Barium
acc, A2 5.025
20
0
C 4.35
Beryllium, ,,"
HCP, A3 2.2854 3.5841 20
0
C 2.225
P (doubtful) Hexagonal
7.1 10.8 Room
Bismuth
Rhombohedral, A7 4.7356 51'14.2' 20
0
C 3.111
Boron
Rhombohedra I 9.45 23.8 Room
Bromine
Orthorhombic 4.49 6.68 8.74 - I ~ C 2.27
Cadmium HCP, A3 2.9787 5.617 20ac 2.979
Calcium, a
FCC, Al 5.57 20
0
C 3.94
P (300 - 450"C)
4(f;lC
l' (> 450"C) HCP, A3 3.99 6.53 3.95
Carbon, diamond" Diamond cubic, A4 3.568
18ac 1.544
Graphite, u" Hexagonal, A9 2.4614 6.7014 20
0
C 1.42
Graphite, p
Rhombohedra I, DC, :,,' 2.461 10.064
Cerium'
FCC, Al 5.140
Room 3.64
FCC, Al 4.82
- 180"C 3.40
At 15,000 aim FCC, Al 4.84
Room 3.42
Cesium acc, A2 6.06
-173C 5.25
Chlorine, a Tetragonal 8.58 6.13
_110C
1.88
Chromium acc, A2 2.8845 20
0
C 2.498
(Transit. at 37C) acc, A2 2.8851
38C
Cobolt, u* HCP, A3 2.507 4.069 20
0
C 2.506
P
FCC, Al 3.552 Room 2.511
Columbium See Niobium
Copper
FCC, Al 3.6153
20C 2.556
Dysprosium HCP, A3 3.585 5.659 20
0
C 3.506
Erbium HCP, A3 3.539 5.601 20C 3.466
Europium acc, A2 4.582
I
20"C 2.968
Francium (Formerly Alabomine)
Gadolinium HCP, A3 3.629 5.759 20
0
C 3.561
Gallium One Fe orthorhom- 3.526 4.520 7.660 20C 2.442
blc, All
Germanium Diamond cubic, A4 5.658
20C 2.450
Gold FCC, AI 4.0783 20
0
C 2.884
Hafnium HCP, A3 3.206 5.te7 20C 3.15
Helium HCP, A3 (1) 3.58 5.84 - 271.5
O
C 3.58
Holmium HCP, A3 3.564 5.631 20C 3.487
(COllt.)
Ordinary form of an element that exists (or is thought to exist) ill more than
one form.
482
APP.
13]
CRYSTAL STRUCTURE DATA 483
(cont.)
*
Ordinary
form of an element that exists
(or
is
thought
to
exist)
in more than
one form.
APP. 131
CRYSTAL STRUCTURE DATA 483
I
Lattice
Temperature Distance
Element and
parametero (A)
c or axial for which of clasest
I modification
Type of sir uc tur.
angle constants approach
I
b
apply (Al
a
Hydrogen, para Hexagonal
3.76
6.13 - 271
0
e
Illinium See Promethium
IndIum
FC tetragonal, A6
4.594
4.951 20C 3.25
Iodine Orthorhombic
4.787
7 266 9.793
'}!Joe
2.71
Iridium FCC, Al
3.8389
20C 2.714
Iron, a"
acc, A2 2.8664
'}!Joe
2.00181
Y (extrapolated) FCC, AI 3.571
20
0
e 2.525
Y (908 -1403
0
C) 3.656
I
95r:f'e 2.585
6 (> 1403C) acc, A2 2.94
142S'C 2.54
Krypton
FCC, Al 5.69
-191
o
C 4.03
Lanthanum, ('t* HeP, A3 3.762 I
6.075 20C 3.74
II
FCC, Al 5.307
Room 3.762
Lead
FCC, Al 4.9495
2r:PC 3.499
lithium
acc, A2 3.5009
20
a
C 3.039
(cold worked) FCC, Al 4.40
-19$'C 3.11
HeP, A3 (7) 3.08
4.82 - 195"C 3.08
lutecium HeP, A3 3.516
5.570 20
a
C 3.446
Magnesium
HeP, A3 3.2092
I
S.2103
20C 3.196
Mangonese, 0''' Cubic, A 12 8.912
2.24
III 727 - 1095C) Cubic, A 13 6.313
Room 2.373
y( 1095 -I 133C) FC tetragonal, A6 3.782
3.533 Room 2.587

Mas.urium
(Technetium)
Mercury
Rhombohedral, A II 2.006
7031.7' -46C 3.006
Molybdenum
acc, A2 3 1466
20C
Neodymium, u'" HeP, A3 (1) 3.657
20C 5.902
Neon
FCC, Al 4.51
-268C 3.21
Neptunlum
Nickel FCC, Al 3.5238
2QDC 2.491
(unstable, with H2
or N37J
HeP, A3 '"
266
4.32 Room
(unstable) (1) Tetragonal, D '4/, 4.00
3.77 Room
Niobium BCC, A2 3.3007
2.859
Nitrogen, "
Cubic 5.67
-25t>e 1.06

Hexagonal 4.04
6.60 -234C
Osmium HCP, A3 2.7333
4.3191

2.675
Oxygen, n Orthorhombic 5.51
3.83 3.45
II
R.hombohedra I 6.20
99 .1
0
-238C
y Cubic 6.84
- 225C
Palladium FCC, Al 3.8902
2QDC
2.750
Phosphorus, white Cubic 7 18
-35"C
Block' Orthorhombic, A 16 3.32
4.39 10.52 Room 2.17
Platinum FCC, Al 3.9237
2IPc 2.nS
Plutonium
Polonium, H Simple cubic 3.345
,
3.35
II (above 75C) Simple rhombohedral 3.359
9813 4.40
Potassium acc, A2 5.344
2Cf'c 4.627
Praseodymium, a'
HCP, A3 (7) 3.6tH
5.9'}!J
'}!Joe
3.640
II
FCC, Al 5.161
Room 3.649
Promethium
Protactinium
Rodium
Radon
(rOTII.)
Ordinary form of an element that exists (or iR thought to exiRt) in more than
one form.
484 CRYSTAL STRUCTURE DATA
[APP.
13
*
Ordinary
form of an element that exists
(or
is
thought
to
exist)
in more than
one form.
From Structure
of
Metals,
2nd
edition,
by
Charles S. Barrett
(McGraw-Hill
Book
Company, Inc.,
New York,
1952).
484
CRYSTAL STRUCTURE DATA [APP. 13
Lattice
Temperature Distance
E)ement and
Type af structure
parameters (A)
cor axiol for which of closest
modlficotlon
ongle constants approach

b
opply
(A)
Rhenium HCP, A3 2.7609 4.4583
'JC 2.740
Rhodium, FCC, Al 3.8034
'JC 2.689
" (electrclytic) Cubic 9.230 Room
Rubidium acc, A2 5.63
-173C 4.88
Ruthenium, ex* HCP, A3 2.7038 4.2816 'JC 2.649
Samarium FC tetragonal (7)
Scandium, a* FCC, Al 4.541
'JC 3.2110

HCP, A3 3.31 5.24 Room 3.24
Selenium' (gray,
'JC
stable, metal I ic) Hexagonal, A8 4.3640
4.9594 2.32
,,(red, metastable) Monoclinic, P2
1
/I 9.05 9.07
9046'
Room 2.34
11.61
(red, metastable) Monoclinic, C\h or 12.76 B.06
934'
Room
C '2/, or C
2
5
- 9.27
Silicon Diamond cubic, A4 5.4282
'JOC 2.351
Silver FCC, Al 4.0856
2CPC 2.888
Sodium acc, A2 4.2906
'JC 3.715
Strontium FCC, Al 6.087
2ff'c 4.31
Sulfur, '" yellow
,
Orthorhombic, AI7 10.50 12.94 24.60 2ff'c 2.12
J3
Monoclinic 10.92 11.04
{J3 = 8316'
103C
10.98
Tantalum acc, A2 3.3026 2ff'c 2.860
Tellurium Hexagonal, AS 4.4559 5.9268
'JC 2.87
Terbium HCP, A3 3.592 5.675
'JC 3.515
Thallium, ,? HCP, A3 3.4564 5.531 Room 3.407
J3
acc, A2 3.882 3.362
Thorium FCC, Al 5.088
2fi>C 3.60
Thulium HCP 3.530 5.575 'JC 3.453
Tin, ct., gray Diamond cubic, A4 6.47 18C 2.81
13, white'
T etragona I, A5 5.8311 3.1817 2ff'c 3.022
Titani um, fl_ HCP, A3 2.9504 4.6833 2.89
J3
acc, A2 3.33
900C 2.89
Tungsten (wolfram), ex' acc, A2 3.1648 'JC 2.739
J3 (unstable) Cubic, AI5 5.049 2ff'c 2.524
Uranium, u* usDC) Orthorhombic, A20 2.858 5.877 4.955
'JC 2.77
(665 -775C) Low symmetry
Y (775-11300c) BCC, A2 3.49 800C 3.02
Vanadium acc, A2 3.039 2r:f'C 2.632
Virginium See Astatine
Wolfram See Tungsten
Xenon
FCC, Al 6.25 4.42
Ytterbium
FCC, Al 5.488 3.874
Yttrium HCP, A3 3.670 5.826 3.60
Zinc
HCP, A3 2.664 4.945 2.664
Zirconium, ex HCP, A3 3.230 5.133
86h'
3.17
J3
acc 3.62 3.13
* Ordinary form of an plement that exists (01' thought to exist) in more than
one form.
From Structure of 2nd edition, by S. Barrett (McGraw-Hill Book
Company, Inc., New York, 1952).
APP.
13]
CRYSTAL STRUCTURE DATA
TABLE A13-2. SOME COMPOUNDS AND SOLID SOLUTIONS
485 APP. 13J CRYSTAL STRUCTURE DATA 485
TABLE A13-2. SOME COMPOUNDS AND SOLID SOLUTIONS
Substance Type of structure
Lattice Spacing of
parameters (A) cleavage planes(A)
NaCl FCC, 81 a = 5.639
KCI FCC, 81 a = 6.290 2.820
Ag8r FCC, 81 a = 5.77
Ca F
2
(fluorite) FCC, Cl
a = 5.46
Ca C0
3
(calcite)
Rhombohedral, G 1
a = 6.37
3.036
ll/ = 46.1
0
SI0
2
(a-quartz)
Hexagonal, C8
a = 4.90
c = 5.39
H
2
KAI
2
(Si0
4
)3
a = 5.18
Monoclinic
b = 8.96
10.08
(mica, muscovite)
c=20.15
~ = 98.6
0
a = 4.525
Fe
3
C (cementite)
Orthorhombic b = 5.088
c " 6.740
a = 3.555 + O.044x
Austenite FCC, Al (x = weight percent
carbon)
a = 2.867 - 0.013.c
Mortensite BC T etragona I
c = 2.867 + 0.116 x
(x = weight percent
carbon)