CL 404 : Material

Science

2. Crystal Structure
Atomic arrangement

Solid : Crystalline and amorphous

Crystalline: Periodic arrangement of atoms

Amorphous: random arrangement of atoms

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Space lattice
 An infinite array of points in 3-d space that every point has identical surroundings
 Periodicity would be different in different directions
 To understand the location /arrangement of of lattice points, we need translation from
one point to another
 To define translation in 3-d space, we need three non coplanar vectors

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Space lattice
 Unit cell to represent the infinite space lattice – Bravais space lattices

 Unit cell – maximum possible symmetry with smallest size

 14 possible space lattices (or unit cells) under 7 crystal system

 Symmetries
 Translation
 Rotation
 Reflection

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Space lattice
 Arrangement of lattice points in a unit cell
 Simple
 Body centered
 Face centered
 Base centered/End centered
 Hexagonal

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Crystal System

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Why we don’t have FC
tetragonal?

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Crystal System

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Crystal System

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Crystal structure
 One atom / two or more atoms at a given lattice
point
 Ex: one – Cu, Fe
 Multiple: α Mg – 29
 β Mg – 20
 Polymer- in thousands
 One atom –simple
 Multiple atoms – Define the following things
 No. of atoms and their kind
 Internuclear spacing
 Orientation in space

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Miller indices
 Position coordinates: Position of any point in a
unit cell
 Origin
 Axes
 Direction
 Two Ways
 Shown by arrow which has head and tail
 Origin – could be chosen different for the same
crystal to understand different problems/directions
 Axes and their sense once chosen, cannot be
changed (we loose directional relationships)
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Miller indices
 Direction
 Let the tail coincide with the origin by shifiting
the origin
 Determine position corordiantes of arrow head
 Reduce them to smallest integers in the same
proportion
 Enclose in square brackets
 Unknown indices : [u v w]

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Miller indices
 Direction
 Determine position coordinates of arrow head and
tail. Subtract the coordinates (Head – tail)
 Reduce them to smallest integers in the same
proportion ; Enclose in square brackets
 Family of directions
 A direction physically identical to another direction
[not necessary parallel]
 Solid characteristics different in different direction
 All the members in the family have same property

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Miller indices
 Hexagonal system
 Need fourth indices
 [ u’ v’ w’] [ u v t w]

 u=1/3(2u’ – v’)
 V=1/3(2v’-u’)
 t=(u+v)
 w=w’

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Miller indices
 Planes
 Indicated by (h k l)
 Reciprocal of intercepts of the plane on the
three axes (to avoid infinity)
 Clear fractions
 Reduce to lowest terms and enclose in ()

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Interplanar spacing
 The distance between planes dhkl

 System having orthogonal set of axes

 1/d2 = h2/a2 + k2/b2 + l2/c2

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Coordination number
 Number of nearest neighbor to a particular atom in the crystal

 FCC : 12

 BCC : 8

 HCP : 12

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Atomic packing factor
(APF)
 APF = volume of atoms/volume of unit cell

 FCC : 0.74

 BCC : 0. 68

 HCP : 0.74

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Linear and Planar density
 Linear density =

number of atoms centred on direction vector

length of direction vector

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Linear and Planar density
 Planar density =

number of atoms centred on a plane

area of plane

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Density Computations

nA

VC N A
Where
n = no. of atoms associated with each unit cell
A =atomic weight
Vc =volume of unit cell
NA = Avogadro’s number

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Close packed crystal
structure
 FCC and Hexagonal crystal structure –
high packing factor (0.74)

 These can be described in terms of close

packed planes of atoms
 FCC: {111}
 HCP: {0001}

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Close packed crystal
structure
Void
Vertex up – B
Vertex down - C

HCP 23
FCC

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Crystal structure
 Allotropy – Elemental solids have more
than one structure
 Fe: BCC at room temp. ; FCC at 912°C
 Tin: BC tetragonal at room temp; diamond
cubic crystal structure at 13.2 °C
 Property change during transformation

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Crystal Structure
 Single crystals and polycrystalline

 Isotropic, anisotropy
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