UNIT-I Crystallography & Crystal Structures, 11
UNIT-I Crystallography & Crystal Structures, 11
UNIT-I Crystallography & Crystal Structures, 11
(An Autonomous Institution approved by UGC and ‘A’ Grade Awarded by NAAC)
L T P/D C
3 1 0 3
UNIT – I
Crystallography and Crystal Structures
Space Lattice, Unit Cell, Lattice
Parameters, Crystal Systems, Bravais Lattices,
Miller Indices, Crystal: Planes and Directions,
Inter Planar Spacing of Orthogonal Crystal
Systems, Atomic Radius, Co-ordination
Number and Packing Factor of SC, BCC,
FCC and HCP Structures. Atomic densities
along various important directions and planes
and comparison of deformation of BCC, FCC
and HCP metals.
Introduction:
Solids can be broadly classified into two
categories based on the arrangement of
atoms or molecules as crystalline and non
crystalline (amorphous).
Crystalline Solids:
In crystalline solids the atoms or
molecules are arranged in a periodic manner
in all three directions and further those are
classified as mono (single) crystals and
polycrystalline solids.
Single Pyrite
Single Crystal
Crystal
Polycrystal Polycrystalline
Pyrite form
(Grain)
C r y s t a l s w h i c h h a v e d i ff e r e n t p e r i o d i c
arrangements in all the three directions exhibit
varying physical properties with directions and
they are called anisotropic substances.
Ex: Al, Cu, Ag, Ge, Si, Diamond etc…
Non crystalline Solids:
Non crystalline substances are also called
amorphous. In amorphous solids the atoms or
molecules arranged randomly and which have no
regular structure.
P
b
a
Where a and b are called the repeated
translation vectors.
The position vector of any lattice point for two dimensional
space lattice is
Lattice lines
Lattice points
BASIS :
A group of atoms or molecules identical in composition,
arrangement or orientation is called the Basis.
The basis provides the number of atoms per lattice point,
their types and orientation.
Lattice + basis = crystal structure
α γ b
Y
a β
X
CRYSTALLOGRAPHIC AXES:
The lines drawn parallel to the lines of intersection
of any three faces of the unit cell which do not lie in
the same plane are called crystallographic axes.
PRIMITIVES:
a, b and c are the dimensions of an unit cell and are
known as Primitives.
INTERFACIAL ANGLES:-
The angles between three crystallographic axes are
known as Interfacial angles α ,β and γ.
PRIMITIVE CELL:-
The unit cell is formed by primitives is called primitive cell.
A primitive cell will have only one lattice point.
LATTICE PARAMETERS:-
The primitives and interfacial angles are called lattice
parameters.
NOTE:
i). Primitives decides the size of the unit cell.
ii). Interfacial angles and primitives together decides the shape
and size of the unit cell.
Volume of the unit cell = a3
Therefore, mass of the unit cell = volume x density
m = a3ρ -------------(1)
a3ρ = n x M/N
1
2 4
3
•Cubic Simple P
Body Centered I
Face Centered F
•Tetragonal Simple P
Body Centered I
•Orthorhombic Simple P
Base Centered C
Body Centered I
Face Centered F
•Monoclinic Simple P
Base Centered C
•Triclinic Simple P
•Trigonal Simple P
•Hexgonal Simple P
7P+3I+2F+2C = 14
Thus the total number of Bravais Lattices are 14
Cubic crystal system:
P I F
1
2 4
3
a=b=c α = β = γ =90˚
Tetragonal crystal system
P I
a=b≠c α = β = γ =90˚
Ortho Rhombic crystal system
P I F
1
2 4
3
a≠b≠c α = β = γ =90˚
Monoclinic crystal system
C
P
a≠b≠c α = β = 90 ≠ γ
Triclinic clinic crystal system :
P
a≠b≠c α ≠ β ≠ γ ≠90˚
Trigonal crystal system:
P
a = b = c α = β = γ ≠ 90˚
Hexagonal crystal system:
P
a=b≠c α =β=90˚,γ=120˚
NEAREST NEIGHBOR DISTANCE(2r):
The distance between the centers of two nearest neighboring
atoms is called nearest neighbor distance.
r r
2r
ATOMIC RADIUS(r ):
Atomic radius is defined as half of the distance between the
nearest neighboring atoms in an unit cell of a crystal
atomic radius= r
CO-ORDINATION NUMBER:
Co-ordination number is defined as the number of
equidistance nearest neighbors that an atom has in its unit
cell.
2. Atomic radius r = a / 2
= (1-0.52)X 100
=48%
Ex: Polonium.
BCC STRUCURE:
2r =√3a/2 √2ā
C
C
2.Atomic radius r = a / 2√2
4r
ā
3.Nearest neighbor distance
2r = a /√2 A ā B
4.Co-ordination number = 12
5.Atomic packing factor
3. Atomic radius r = a / 2.
60°
A O B
c/2
o
A
30°
X N
a
a
B
6. Atomic packing factor
4
1 2
3
5
a y
a/4
x a/4 p a/2
a
Diamond - APF
y
1. Effective number of atoms per unit
cell (8 x 1/8) + 1/2 X 6 + 4 = 8.
a/4
2r
2.Atomic radius r = √3a / 8.
z
3.Nearest neighbor distance
a/4
2r = √3a / 4.
x a/4 p
4.Co-ordination number = 4.
* The fraction such as 1/4,1/2,3/4 denote
the height above the base in units of cube edge.
0 1/2 0
3/4 1/4
0 1/2
1/2
3/4
1/4
0 1/2 0
5. Atomic packing factor
Directions :
In crystal analysis, it is essential to indicate certain
directions inside the crystal and which is a line
joining any two points of the lattice.
Two dimensional crystal directions representation:
y
A [1 2 ] B[1 1 ]
C[3 2 ]
D[3 1 ]
O x
Let ‘o’ be the origin of the pattern. Consider the
directions OA,OB,OC & OD. The direction is
described by giving the first integer point (x,y)
through which the line passes.
• The line OA is passing through the first lattice
point at x=1 & y=2. Therefore, the direction OA is
given by [1 2].
• A convention square brackets are used to represent
directions.
Three dimensional crystal directions
representation: z
P[u v w]
Suppose to indicate the
c
direction ‘OP’ as shown in
wc
figure. Consider x. y & z are o
b
the crystallography axes. a
ua vb
y
x
• If a, b and c represent unit translational vectors along
x,y and z directions, then moving ‘u’ times ‘a’ along
x-axis, ‘v’ times ‘b’ along y-axis and ‘w’ times ‘c’
along z-axis, we can reach ‘P’.
[001]
Ex: Some important [011]
[000] [010]
y
[100] [110]
x
Some important directions in cubic crystal:-
• Square brackets [ ] are used to indicate the directions
z
C
r
o q B
y
p
A
x
Choose system of three coordinate axes x,y & z i.e.,
crystallographic axes
x
y
(1 0 0) plane
z
y
Set of (100) parallel planes
Construction of (010) plane
(010) plane.
y
z
1 x
1
( 001 ) plane
y
Set of ( 0 0 1 ) parallel planes:
z
y
Construction of (110) plane
(110)
y
z
(110)
y
Set of (110) parallel planes
Construction of ( ī 0 0) Planes
y
Construction of (111) plane
Intercepts of the
z
planes are 1,1,1
Reciprocals of intercepts
are 1/1,1/1,1/1
Miller indices:(111)
(111) plane
y
Inter planner spacing of orthogonal crystal system:
(in 3 dimensions)
‘The distance ‘d’ between a series of planes in a
crystal is known as the ‘d’ spacing or inter planar
spacing’.
• Let ( h ,k, l ) be the miller indices of the plane ABC.
• Let ON=d be a normal to the plane passing through
the origin ‘0’.
• Let this ON make angles α, β and γ with x, y and z
axes respectively.
• Imagine the reference plane passing through the
origin “o” and the next plane cutting the intercepts a/h,
b/k and c/l on x, y and z axes.
Z
C M
c/l γ N
α A X
O β
a/h
b/k
B
Y
• Let the direction cosines of ON be cosα, cosβ & cos
γ
But law of direction cosines
• Let OM be the perpendicular distance of the next
plane from the origin and its intercepts 2a/h, 2b/k &
2c/l.