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CRYSTAL STRUCTURE AND


CRYSTAL GEOMETRY

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Space lattice and unit cell


Physical structure of solid materials depend on the arrangement
of atoms, ions or molecules and the bonding forces between
them.
If the arrangements in a pattern that itself crystal structure
(crystalline solid or crystalline materials) most metals,
alloys
and some ceramic.
Atomic arrangement can be described in network space
lattice
Each space lattice can be described by specifying ite atom
position in a repeating unit cell.
The size and shape of unit cell can be described by 3 lattice
vectors (a, b, c) and interaxial angels , and are the lattice
constant of the unit cell.

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Figure 3.1

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Crystal systems and Bravais Lattices


Only seven different types of unit cell create all point lattices
Bravais showed that 14 standard unit cell to describe all
possible lattice network.
4 basic types of unit cells: simple, body-centred, face-centred
and base-centred.
The size and shape of unit cell can be described by 3 lattice
vectors (a, b, c) and interaxial angels , and are the lattice
constant of the unit cell.

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Figure 3.2

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Metallic crystal structures


90% elemental metal crystallise when solidified
3 form of packed crystal structure are:
- Body-centred cubic, face-centred cubic and hexagonal
closed packed
Unit cell are very small, e.g BCC iron has a = 0.287 nm.
if unit cells of pure irons are line up side by side in 1 mm,
there will be 3.48 x 106 unit cell (1mm / 0.287 x10-6 mm)

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Figure 3.3

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Body-centred cubic (BCC) structure


The central atom is surrounded by 8 nearest neighbours: 8
coordination number
Each unit cells has the equivalent of two atoms per-unit
cell.
Relationship between the lattice constant, a and atomic radius,
R:

Try e.g. 3.1 pg 3

4R
a
3

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Figure 3.4

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Figure 3.5

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Atomic packing factor (APF)

vol. of atoms in unit cell


APF
vol. of unit cell

Try e.g. 3.2 pg 4

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Face-centred cubic (FCC) structure


Each atom is surrounded by 12 nearest neighbours: 12
coordination number
Each unit cells has the equivalent of four atoms per-unit
cell.
Relationship between the lattice constant, a and atomic radius,
R:

4R
a
2

Try APF for FCC (0.74)

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Figure 3.6

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Figure 3.7

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Hexaganol closed-packed (HCP) structure


Each atom is surrounded by 12 nearest neighbours: 12
coordination number
Each unit cells has the equivalent of 6 atoms per-unit
cell (8 x + 2 (6 x 1/6) = 6) .

Try e.g 3.3, pg 4

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Figure 3.8

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Figure 3.9

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Atomic Positions in cubic unit cells


To locate the atom position in unit cells, x,y,z axes are
used
For e.g. the position of atom in in BCC are as shown in
Figure 3.10.
Try with FCC!

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Figure 3.10

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Direction in cubic unit cells


For cubic crystal, the crystallographic direction are the
vector components of the direction resolved along each
of the coordinated axes and reduced to the smallest
integers.
The positions coordinates of the unit cell where the
direction vector emerges from the cube surface after
being converted to integer are the direction indices
e.g. fig 3.11 c,
Direction vector OM: (1, , 0)
Direction indices of OM: [210]
fig 3.11 d,

Direction vector ON: (-1,[1-1,


1 00)
]
Direction indices of OM:

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Figure 3.11

Try e.g. 3.4, 3.5 and 3.6

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Direction in cubic unit cells Cont


All parallel direction vectors have the same direction
indices
Directions are said to crystallographically equivalent
if the atom spacing along each direction is the same.
e.g. crystallographically equivalent directions:

[100], [010], [001], [110] [0 01]

1 0 0

indices of a family or form

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Example 3.4

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Example 3.5

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Example 3.6

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Miller Indices for crystallographic planes in unit cubic cells


Miller indices is used to identify crystal planes in a cubic
crystal structure.
The procedures to obtain miller indices for cubic crystal plane:
- Choose the plane that does not pass through the origin at
(0,0,0).
- Determine the intercept of the plane in terms of x,y, z axes
for a unit cube.
- Form a reciprocal of these intercepts
- Clear fractions and determine the smallest set of the whole
number that are the same ratio as the intercepts. These
numbers are Miller indices, (hkl) of a cubic plane for the
x,y and z axes respectively.

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Figure 3.13

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Figure 3.14

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Example 3.7

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Interplanar spacing
The direction indices of a direction perpendicular to the
crystal plane as the same as the miller indices of that plane
(applied only for cubic system).
For e.g. [100] direction is perpendicular to the (100) crystal
plane.
Interplanar spacing (dhkl) is the distance between two closest
parallel planes with the same miller indices

hkl

a
h k l
2

Try: Cu has an FCC crystal structure and a unit cell with the a= 0.361nm.
What is the interplanar spacing d220? (pg 7)

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Figure 3.15

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Figure 3.16

HCP unit cell are


identified using 4 indices,
(hkil) which based on
Coordinate system with
4 axes, a1, a2, a3 and c

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Volume, planar and linear density of unit cell


Using hard sphere atomic model:
v = (mass/unit cell)/(volume/unit cell)
p = (equiv. no. of atoms whose center are intersected by selected area) /
(selected area)

l = (no. of atomic diameter intersected by selected length of line


in the direction of interest) / (selected length of line)
Try Example page 10, 1-3

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Figure 3.17

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Figure 3.23

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Crystal structure analysis


Analysis of crystal structure can be obtained using x-rays
diffraction techniques (x-ray diffractometer).
By referring to Figure 3.28,
n = MP + PN (n = 1,2,3,.Order of the diffraction)
Both MP and PN equal to dhkl sin ,
n = 2 dhkl sin (Braggs law)
Gives the relationship between the x-ray radiation and
interplanar spacings dhkl of the crystal plane. In most case the
first order of diffraction is used (n=1), Braggs law become:
= 2 dhkl sin
Try e.g. pg 10, no.4

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Figure 3.28

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Figure 3.29

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Polymorphism or allotropy
Same element can exist in more than one crystalline
form. For e.g. iron exist in both BCC and FCC crystal
structures over a temperature range from room
temperature to its melting point.

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LEARNING OUTCOMES: At the end of this chapter you


should be able to:

Identify what signify the crystalline material


Explain space lattice and identify some important crystal system to
describe certain elements
Identify main crystal systems for metallic crystal structures
Calculate the lattice constant (a) and atomic packing factor (APF)
for different type of crystal systems
Draw the direction vectors in unit cells
Used miller indices to identify crystal planes.
Calculate interplanar spacing between 2 closest parallel planes
(Refer to eqn 3.4)
Calculate volume density (v), Planar atomic density (p) and
linear atomic density (l).
Explain polymorphism
Use Braggs law to do some analysis on crystal structure