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CRYSTAL PHYSICS
Introduction
A solid is that form of matter that possesses rigidity and hence possesses a definite shape and a
definite volume. There are two types of solids:
Crystalline solids
Solids with a definite geometric pattern.
Examples: Iron, copper, silver, sulphur etc. are some elements which form crystalline solids.
Potassium chloride, sodium nitrate etc are some of the compounds, which are crystalline.
Amorphous solids
Solids with particles not arranged in a regular fashion. They have only short range order or even
the particles are disordered in some cases.
Substances whose particles do not possess a regular orderly arrangement but have short range
order. When amorphous solids are heated they become crystalline at some temperature.
Properties of amorphous solids are:
They do not have sharp melting point.
Under go liquefaction over a broad range of temperature.
Do not possess characteristics heats of fusion.
When heated and cooled slowly they become crystalline.
Example: Glass and plastics.
2
Difference between amorphous and crystalline solids
Classification of Crystalline solids
Some substances adopt different structural arrangements under different conditions. Such
arrangements are called Polymorphs.
Example: Diamond and graphite are two different polymorphic forms of carbon.
3
Lattice Points:
The atomic arrangement in a crystal is called crystal structure. In a perfect crystal there is
a regular arrangement of atoms. It is very convenient to imagine points in space about which
these atoms are located. Such points in space are called Lattice Points and totality of such
points forms a crystal lattice or space lattice.
Space Lattice:
A three-dimensional space lattice may
be defined as an infinite array of points in three
dimensions in which every point has an
environment identical to that of any other point in the array.
The Basis and Crystal Structure:
Associating with every lattice point a unit assembly of atoms or molecules identical in
composition, arrangement and orientation forms the crystal structure. This unit assembly is
called the basis. When the basis is repeated with correct periodicity in all directions, it gives the
actual crystal structure. The crystal structure is real, while the lattice is imaginary. Thus
Lattice + Basis = Crystal structure
Above figures show crystal structure from Space lattice and Basis. It is observed from the figure
that the basis consists of one atom. The number of atoms in the basis may vary from a single
atom to many atoms. For example in sodium and copper, the basis is single atom and in NaCl
and CsCl, the basis is diatomic.
4
Unit Cell:
The atomic order in crystalline solids indicates that the small groups of atoms form a
repetitive pattern. Thus in describing crystal structures, it is often convenient to subdivide the
structure into small repeat entities called unit cells. A unit cell is chosen to represent the
symmetry of the crystal structure, where in all the atomic positions in the crystal may be
generated by translation of the unit cell integral distances along each of its edges. Thus the unit
cell is the basic building block of the crystal structure. Therefore unit cell is defined, as a unit
cell is the smallest geometric figure, the repetition of which in three dimensions will give the
actual crystal structure. Unit cell for most crystals are parallelepiped or cubes having three sets
of parallel faces. The choice of a unit cell is not unique but can be constructed in a number of
ways as shown in the figure. The unit cell should be chosen in such a way that it gives the
symmetry of crystal lattice.
The figure above shows a unit cell of a three-dimensional crystal lattice.
Lattice Parameters of a unit cell:
In order to define lattice parameters, we should first define axes. The crystallographic
axes are those lines drawn parallel to the lines of intersection of any three faces of the unit cell
which do not lie in the same plane. The angles between the three crystallographic axes are
known as interfacial angles and are denoted by o,| and . The intercepts a, b and c on
crystallographic axes
(x, y and z ) define the dimensions of unit cell and are known as primitives or characteristic
intercepts on the axes. These primitives and interfacial angles constitute the lattice parameters of
the unit cell. It is thus obvious that if the values of these intercepts and interfacial angles are
known, we can easily determine the form and actual size of the unit cell.
Primitive Cell: Primitive cell is defined as the unit cell that contains one lattice point only.
5
Crystal Systems:
The lattice is made-up of a repetition of unit cells and a unit cell can be completely
described by the three vectors a
, b
and c
, b
=
13
CRYSTAL PLANES & DIRECTIONS
Crystal directions:
Miller indices:
The crystal lattice may be regarded as made-up of a large number of parallel equi-distant
planes, passing through the lattice points. These planes are known as lattice planes. Miller
evolved a method to designate a set of parallel planes in a crystal by three numbers (h, k, l),
known as Miller indices.
Determination of Miller indices:
The steps in the determination of Miller indices of a set of parallel planes are given
below:
Determine the coordinates of the intercepts made by the plane along the three crystallographic
axes
(x, y & z).
For example, a plane has intercepts 2a, 3b, c.
Express the intercepts as multiples of the unit cell dimensions or lattice parameters along the
axes.
14
c
c
b
b
a
a
,
3
,
2
2, 3, 1
Determine the reciprocal of these numbers
1
1
,
3
1
,
2
1
Reduce these reciprocals to the smallest set of integral numbers by multiplying them with their
LCM and enclose them in bracket. (3, 2, 6).
In general Miller indices are denoted by ( h, k, l )
Thus, Miller indices may be defined as the reciprocals of the intercepts made by a plane on the
crystallographic axes when reduced to small numbers.
Miller indices have a ratio between them, which is the same as the ratio between the reciprocals
of the intercepts.
Important Features of Miller indices of Crystal Planes:
All the parallel equi-distant planes have the same Miller indices. Thus Miller indices define a set
of parallel planes.
A plane parallel to one of the coordinate axes has an intercept of infinity and a Miller index of
zero for that axis.
If the Miller indices of two planes have the same ratio ((8,4,4) and (4,2,2)), then the planes are
parallel to each other.
If a plane passes through the origin, it is defined in terms of a parallel plane having non-zero
intercept.
15
Important Crystal planes:
Inter-planar spacing between successive planes having
Miller indices (h,k,l): (cubic crystal only)
Let (h, k, l) be the Miller indices of the plane ABC shown in the figure. The cube edge is
a. This plane belongs to a family of planes whose Miller indices are (h, k, l). Let OM = d
1
be
the perpendicular distance of the plane ABC from the origin. Let o
, |
and
be the angles
between the Coordinate axes x, y, z respectively and OM.
O
A
B
C
Q
R
P
M
N
16
The intercepts of the plane on the three axes are
l
a
OC
k
a
OB
h
a
OA = = = , ,
OM is normal to the plane ABC. From the figure we can write
1 1 1
' , ' , '
d d d
Cos Cos Cos
OA OB OC
o | = = =
From the direction Cosines relation we have
2 2 2
' ' ' 1 Cos Cos Cos o | + + =
1
2
2
1
2
2
1
2
2
1
= + +
OC
d
OB
d
OA
d
1
2
2 2
1
2
2 2
1
2
2 2
1
= + +
a
l d
a
k d
a
h d
| | 1
2 2 2
2
2
1
= + + l k h
a
d
2 2 2
2
2
1
l k h
a
d
+ +
=
2 2 2
1
l k h
a
d
+ +
=
Let ON = d
2
be the perpendicular distance of the next plane PQR parallel to the first plane ABC.
The intercepts of this plane on the three crystallographic axes are
2 2 2
, ,
a a a
OP OQ OR
h k l
= = =
and
2
2 2
" , " and "
d d d
Cos Cos Cos
OP OQ OR
o | = = =
From directional Cosines relation we have
2 " 2 2
" " 1 Cos Cos Cos o | + + =
2
2 2
2 2 2
1
d d d
OP OQ OR
| |
| | | |
+ + =
| | |
\ . \ .
\ .
1
2 2 2
2
2
2
2
2
2
= |
.
|
\
|
+ |
.
|
\
|
+ |
.
|
\
|
a
l d
a
k d
a
h d
( ) 1
2
2 2 2
2
2
= + + |
.
|
\
|
l k h
a
d
17
2 2 2
2
l k h
a 2
d
+ +
=
Thus the inter planar Spacing (d) between two adjacent parallel planes of Miller indices (h k l) in
a cubic lattice is
d
hkl
= d
2
d
1
2 2 2
2a
h k l
=
+ +
2 2 2
a
h k l
+ +
2 2 2
hkl
a
d
h k l
=
+ +
This gives inter-planar spacing of planes whose Miller indices are (h k l).