UNIT – 1

CRYSTALLOGRAPHY
Topics to be covered :
Introduction to Crystallography.
Space lattice or Crystal lattice.
Unit Cell.
Lattice Parameters.
Types of Crystal Systems.
Bravais Lattice.
Miller Indices.
Inter Planar Spacing.
Braggs Law.
Powder Diffraction Method.
Introduction to Crystallography:
Crystallography is the experimental science of
determining the arrangement of atoms in the crystalline
solids.
By studying the crystal structure and bonding nature of
different materials, we can investigate the reasons for
the similar or dissimilar nature of the selected materials
in terms of different properties or different parameters.
The crystal structure and symmetry of a material play a
vital role in determining many of its physical properties,
such as cleavage, electronic band structure, and optical
transparency, etc.
Cont…
Based on the atomic arrangement in a substance, solids
can be broadly classified as either crystalline or non-
crystalline or amorphous solid
In a crystalline solid, all the atoms are arranged in a
periodic manner in all three dimensions
Amorphous or non-crystalline solid are the atomic
arrangement is random or nonperiodic in nature.
The non crystalline substances are also called as
amorphous substances materials.
Space Lattice or Crystal Lattice
Let us consider a two dimensional crystal structure in
which atoms are arranged in a periodic manner.
The space between the atoms is same and the
environment is also same.
If the atoms in the space is replaced with points then
the resultant points in space is called Space lattice. A
space lattice represents the geometrical pattern of
crystal in which the surroundings of each lattice point is
the same.
If the surroundings of each lattice point is same or if the
atom or all the atoms at lattice points are identical, then
such a lattice is called Bravais lattice.
Cont..
Definition : A space lattice or a crystal lattice is
defined as a three dimensional infinite array of
points in space in which every point has
surroundings identical to that of every other point
in the array”.
Unit Cell :
The smallest geometrical figure which when formed
when the successful atoms are joined is called as
Unit Cell.
Cont…
If this unit cell is continuously joined then actual
crystal structure is formed.
For two dimensional crystal structure a square is
obtained.. And for three dimensional crystal
structure a cube is obtained.
Lattice Parameters :
Let us consider the crystallographic axis (xyz) on
which a cube is making intercepts(abc).
These intercepts are called as primitives.
The angles between the axis is given as (αβγ) which
are called as interaxial angles.
So to know the actual structure of a crystal we need
six lattice parameters. i.e., a , b , c and α , β , γ.
Depending on these six lattice parameters we have
7 types of Crystal Systems.
 Seven types of Crystal
Systems:
Bravais Lattices :
Bravais Lattice refers to the 14 different 3-
dimensional configurations into which atoms
can be arranged in crystals.
Before we learn about Bravais lattice we should
know about (P I F C).
P---- Primitive Unit Cell
I ---- Body Centered Unit Cell
F ----Face Centered Unit Cell
C---- Base Centered Unit Cell
Primitive Unit Cell :
If all the corners of a cube or unit cell is occupied
with atoms then it is said to be Primitive Unit Cell.
Body Centered Unit Cell :
Apart from all 8 corners if at atom is present in the
middle of the unit cell then it is said to be Body
centered unit cell.
Face Centered Unit Cell : Apart
from all 8 corners if every face of cube is
occupied with atoms then it called as Face
Centered Unit cell.
Base Centered Unit Cell : Apart
from all 8 corners if one atom is at the
bottom and another at top then it is said to
be Base centered Unit Cell.
Cont..
Bravais Lattice refers to the 14 different 3-dimensional

configurations into which atoms can be arranged in

crystals. The smallest group of symmetrically aligned

atoms which can be repeated in an array to make up the

entire crystal is called a unit cell.

14 types of Bravais Lattices
:
Miller Indices :
Miller introduced a set of three numbers to
designate a plane in the crystal.
This set of three numbers is called as Miller indices
of the concerned plane. In general they are
represented as (h k l).
If the miller indices are represented in round
brackets then it called as Plane
If the miller indices are represented in square
brackets then it called a Direction
A (.) or (,) are to be avoided in between the indices.
Cont...
How to find miller indices :
Example :
Obtain Miller Indices of a plane whose intercepts
are (4 4 2)
Solution : Intercepts are (4 4 2)
Reciprocal of these intercepts are ¼ ¼ ½
Reducing the reciprocals into whole numbers with
LCM i.e 4
¼ x 4 =1
¼ x 4 =1
½ x 2 =2 Miller Indices are ( 111)
Interplanar Spacing
cont..
Cont..
Cont..
Cont..
In this present topic we shall derive the relation between
interplanar spacing i.e., deriving the relation between
planes which are having miller indices (hkl).
Let us consider a plane ABC having intercepts …
OA along X-axis, OB along Y-axis, OC along Z-axis and (hkl)
be the miller indices of this plane ABC and (hkl) can found
by taking reciprocals of the intercepts.
Therefore we can write intercept OA= a/h , OB=b/k , OC=c/
l where a b c are lattice constants along XYZ directions.
These lattice constants are lengths of basis vectors along
the given directions.
So lattice constants along XYZ directions are a,b,c.
As in cubic crystal all sides are equal i.e.. a=b=c we can
write as OA = a/h OB= a/k OC = a/l where (hkl) are the
miller indices of a plane.
Now we want to find out Interplanar spacing for the plane
ABC and for that we need another plane of same
orientation. i.e the plane with same orientation is plane
with same miller indices.
To find our interplanar spacing two parallel planes are
required.
Let us consider next parallel plane to the plane ABC
through the origin.
If we draw perpendicular from origin the plane ABC ON
will become interplanar distance.
α β γ are the angles between the axis XYZ respectively.
Cos α = ON/OA = d/ a/h = hd/a
Cos β = ON/OB = d/a/k = kd/a
Cos γ = ON/OC = d/a/l = ld/a
The law of direction cosines is
Cos2 α + Cos2 β + Cos2 γ =1
(hd/a)2 + (kd/a)2 + (ld/a)2 = 1
By further simplification we get the answer
as
Braggs Law :
Powder Method or Debye-
Scherrer Method :
DEFECTS IN CRYSTALS
Topics to be covered :
1.Classification of defects
2.Concentration of Schottky defects in metals
and ionic crystals.
3.Concentration of Frenkel defects
4.Line defects
5.Screw Dislocation
6.Edje Dislocation
7.Burgers Vector
Classification of Defects
Line Defects :
Line defects are one dimensional
imperfections in the geometrical
sense.
Line imperfections are called
dislocations.
Dislocations can be understood by
two types
1. Edge Dislocation
2. Screw Dislocation.
Edge Dislocation
Burgers Vector
Screw Dislocation :