lattice planes and

Miller indices,
Interplaner spacing Unit cell
for cubic system
Crystal Structure
cubic system:- number of atoms
per unit cell, coordination
Bravais lattice number, atomic radius, packing
density, relation between lattice
constant & density

Solid

Crystalline Amorphous

Single
Polycrystal
Crystal
Space Lattice and Basis

2-D Space Lattice

Space Lattice + Basis = Crystal Structure
Unit Cell
Seven Crystal System
Figures
Bravais Lattices
Figures
Figures
Properties of Cubic Crystal
Structure
 1. Number of atoms per unit cell (n)
a) Simple (Primitive) Cubic Unit Cell
(SC)

In the primitive cubic unit cell, the atoms are only located on the corners. That
means 8 atoms are located on 8 corners of the lattice. Each atom located on the corner
contributes 1/8th of the original volume of the cell. Since, there are total 8 atoms in a
primitive cubic unit cell, the total number of atoms in the primitive cubic unit cell,

So, there is only 1 atom in a primitive cubic unit cell.

 b) Body- centred Cubic Unit Cell (BCC)
In a body-centred unit cell, 8 atoms are located on the 8 corners and 1
atom is present at the center of the structure. So total atoms in the body-centred unit
cell will be:
Since 8 atoms are present at the corners, each will contribute 1/8th of the original
volume of the cell. Thus, in the body-centred cubic unit cell:
 There are 8 corners and 1 corner shares 1/8th volume of the
entire cell, so

 Also, the atom at the centre is wholly present at the center of

the cell and can’t be shared
1 × 1 = 1 atom

So there are total 1+1=2 atoms present in a body-centred unit cell.

 c) Face-centred Cubic Unit Cell
In face-centred(FCC)
cubic unit cell atoms are present on 8 corners and center of all
the faces. Also, each atom located on the centre of the unit cell is shared by two
adjacent unit cells. Therefore, only half atom belongs to a single unit cell.
Thus, in Face-centred cubic unit cell:
There are 8 atoms present at 8 corners, therefore, each corner
wil we will get 1/8 part of atom,

• There are six faces and each face gets 1/2 part of atom then,

Total atoms present in a face-centred unit cell = 1 + 3 = 4 atoms/cell

 1. Number of atoms per unit cell (n)
r y
ma
S um

1 2 4
 2. Atomic Radius (r)
a) Simple (Primitive) Cubic Unit Cell (SC)
Relation Between atomic radius and lattice constant: The spheres at the corners touch each
other on any face as shown in figure. According to geometry

2r=a r=
 b) Body-Centred Cubic Unit Cell (BCC)
The spheres touch each other along the diagonal but do not touch each other
on the face of the crystal.(Use Pythagoras Theorem to calculate radius)

r=
a 4r
OR a =
a

a
 c) Face- Centred Cubic Unit Cell (FCC)

The spheres touch each other along the diagonal but do not
touch each other on the face of the crystal.

r=

OR a =
 2. Atomic Radius (r)
r y
ma
S um

r= r= r=
 3. Packing density or Atomic Packing Fraction(APF)
It can be defined as the ratio of the volume of the number of atoms (n) present in
any unit cell to the volume of that unit cell.

a) Simple (Primitive) Cubic Unit Cell (SC)

• No. of atoms/cell (n) = 1
• volume of one atom =1x (4/3) π r3
• volume of unit cell (cubic) = a3
• The relation between r and a is 2r=a {∴ a3 = (2r)3 }

∴
1.
APF 0.52 APF = 0.52
 b) Body-Centred Cubic Unit Cell (BCC)

 No. of atoms/cell (n) = 2

 volume of two atoms = 2 x (4/3) π r3

{∴ a3 = ()3 }
 volume of unit cell (cubic) =a =a3
 The relation between r and a

∴ APF 0.68 APF = 0.68

 c) Face- Centred Cubic Unit Cell (FCC)

 No. of atoms/cell (n) = 4

 volume of four atoms = 4 x (4/3) π r3

= 2 r {∴ a3 = ()3 }
 volume of unit cell (cubic) = a3
a=
 The relation between r and a is

∴ APF 0.74
APF = 0.74
 3. Atomic Packing Fraction (APF)
r y
ma
S um

APF = 0.52 APF = 0.68 APF = 0.74

 4. Void Space
It can be defined as the space left unutilized in the unit cell. It is always

expressed in percentage.

Thus, Mathematically,
Void Space= (1-APF) x 100
a) Simple (Primitive) Cubic Unit Cell (SC)

APF= 0.52

Void Space = (1-APF) x 100

= (1-0.52) x 100
= 48 %
b) Body-Centred Cubic Unit Cell (BCC)

APF= 0.68

Void Space = (1-APF) x 100

= (1-0.68) x 100
= 32 %
c) Face- Centred Cubic Unit Cell (FCC)

APF= 0.74

Void Space = (1-APF) x 100

= (1-0.74) x 100
= 26 %
 4. Void Space
r y
ma
m
Su

Void Space =48% Void Space =32% Void Space =26%

 5. Coordination number (CN)
Coordination number is the number of equidistant nearest neighbours that an
atoms has in the given crystal structure.
a) Simple(Primitive) Cubic Unit Cell (SC)
If one corner atom is considered as centre then it is found that there are
six nearest neighbours to this atom. Hence co-ordination number (CN)
for simple cubic is 6.

CN = 6

 Nearest Neighbouring Distance (2r)

r=

Hence, 2r = a
 b) Body-Centred Cubic Unit Cell (BCC)
In bcc there are eight at the corners and one atom is in the centre of the
body of cube. Hence if this central atom is considered, we find that there are
eight nearest atoms. Hence co-ordination number for BCC is 8.

CN = 8
 Nearest Neighbouring Distance (2r):-

r=

6
Hence,
2r =
 c) Face- Centred Cubic Unit Cell (FCC)

In fcc lattice it is found that an atom at the face is surrounded by twelve

atoms. Hence co-ordination number for FCC is 12.

CN = 12
 Nearest Neighbouring Distance (2r):-

r=

Hence, 2r =
 5. Coordination Number (CN)
and Nearest Neighbouring Distance (2r)
r y
ma
S um

CN = 6 CN = 8 CN = 12
2r = 2r =
2r = a
 6. Relation between lattice constant ‘a’ and density
ρ

Ρ=
Where M- mass of each atom and it is given by,

ρ= {∵ V= a3}

OR a = []1/3
a) Simple(Primitive) Cubic Unit Cell (SC)
ρ=

b) Body-Centred Cubic Unit Cell (BCC)

ρ=

c) Face- Centred Cubic Unit Cell (FCC)

ρ=
 Comparative Study of Cubic Crystal Structure
Sr. Unit Cell
No. Characteristics
SC BCC FCC

1 Number of atoms per unit cell (n) 1 2 4

2 Atomic Radius (r) r= r= r=

3 Atomic Packing Fraction (APF) 0.52 0.68 0.74

4 Void Space 48 % 32 % 26 %
5 Coordination Number 6 8 12
6 Nearest Neighboring Distance (2r) a
7 Density (ρ)
 Miller Indices
How to find Miller Indices of a given Plane:
Procedure:-
1. Determine the co-ordinates of the intercepts made by plane along the three
crystallographic axes (x, y and z) in terms of lattice constants a, b and c.
x y z
2a 3b c
(pa qb rc) (Here p=2, q=3, r=1)
2. Express the intercepts as the multiples of the unit cell dimensions or lattice
parameter plane along the axes. i.e.
2a/a 3b/b c/c (pa/a qb/b rc/c)
So, “Miller Indices 2 3 1 (p q r)
may be defined as 3. Determine the reciprocals of these intercepts.
the reciprocals of ½ 1/3 1/1 (1/p 1/q 1/r)
4. Reduce these reciprocals to the smallest set of integers and enclose them in
the intercepts bracket(LCM)
made by the plane 6x1/2 6x1/3 6x1/1 (1/p 1/q 1/r)
on the three
(3 2 6) (hkl)
crystallographic Thus the Miller indices of the shown plane are (326)
Miller Indices and direction of a plane

(e)
Continued …
Continued …
Important Features of Miller Indices
(a) Miller indices do not define a particular plane but a set of parallel planes
(b) All equally spaced parallel planes have the same index number (hkl)
(c) A plane parallel to one of the co-ordinate axes has an intercept of  so index will be 0
for that axis.
(d) It is only the ratio of indices which is of importance i.e. (4 2 2) planes are the same as
(211) planes.
(e) A plane passing through the origin is defined in terms of a parallel plane having non-
zero intercepts.
(g) When the intercept of the plane on any axis is negative, a bar (-) is put on the
corresponding Miller index.
 Relation between Lattice parameter ‘a’ and Interplanar
distance ‘d’ in terms Miller Indices (hkl)

Fig. (a)

ON=d
 Bragg’s Law
Ray PQ reflected at atom Q in the direction QR from plane I
X-rays Ray Pl Ql reflected at another atom Ql in the direction Ql Rl from
(λ) plane II.
From fig. ray Pl Ql Rl travels longer distance than that of PQR.
The additional path difference between these rays will be MQ l + Ql N.
The two reflected rays will be in phase or out of phase will depend
upon this path difference.
Path difference = MQl + Ql N
= d sin θ + d sin θ (⸪sin θ =MQl/QQl and QQl =d)
= 2d sin θ
Path difference = n λ
2d sin θ = n λ This is Bragg’s Law
The angle θ is known as glancing angle.