Atomic Structure
Atomic Structure
Non primitive
Types of Unit cell
Three types of non-primitive unit cell : (i) Body centred (I)
(ii) Face centred (F)
(iii) Base or End centred (A)
Seven Crystal Systems
Examples: In, Sn
Seven Crystal Systems
Orthorhombic crystal:
a≠b≠c
𝛼 = 𝛽 = 𝛾 = 90°
Possible structures:
(i) Primitive (P)
(ii) Body centred (I)
(iii) Face centred (F)
(iv) End centred (A)
Examples: Br, Ga
Seven Crystal Systems
Hexagonal crystal:
a=b≠c
𝛼 = 𝛽 = 90°, 𝛾 = 120°
Possible structures:
(i) Primitive (P)
Examples: Be, Cd
Seven Crystal Systems
Trigonal crystal:
a=b=c
𝛼 = 𝛽 = 𝛾 ≠ 90°
Possible structures:
(i) Primitive (P)
Examples: B, Hg
Seven Crystal Systems
Monoclinic crystal:
a≠b≠c
𝛼 = 𝛽 = 90° ≠ 𝛾
Possible structures:
(i) Simple cubic (P)
(ii) End centred (I)
Examples: Pu, P
Seven Crystal Systems
Triclinic crystal:
a≠b≠c
𝛼≠𝛽≠ 𝛾
Possible structures:
(i) Primitive (P)
Examples: 𝐾2 𝐶𝑟2 𝑂7
Packing fraction
Packing fraction is the ratio of actual volume occupied by the atoms to
the total available volume of the structure.
It is denoted by P.
𝐴𝐷 = 𝑟 + 2𝑟 + 𝑟 = 4𝑟 … … … (1)
4 3 4 𝑎√3 3
2 × 𝜋𝑟 2 × 𝜋( ) 𝜋√3
P= 3 = 3 4 = = 0.68
𝑎 3 𝑎 3 8
𝑖. 𝑒. , 68% [Example: Li]
Packing fraction of FCC structure
Edge of the cube = 𝑎
Radius of each atom = 𝑟
𝐴𝐵 = 𝑟 + 2𝑟 + 𝑟 … … … (1)
4𝑟 = 𝑎 2
𝑎
𝑟=
2√2
Packing fraction of FCC structure
4 𝑎 3
4×3𝜋( ) 𝜋
√8
𝑃= = = 0.74
𝑎3 3√2
𝑖. 𝑒. , 74% [Example: Cu]
Miller Index
Miller Indices are defined as a set of smallest integers that indicates the
orientation of a plane or set of parallel planes in a crystal.
1 1 1
1. Find the reciprocal of ℎ𝑘𝑙 , i. e. , , , .
ℎ 𝑘 𝑙
2. For all non-zero indices, draw a point on the x-axis
1 1
at , a point on the y-axis at , a point on the z-axis
ℎ 𝑘
1
at .
𝑙
3. Connect the dots.
How to draw Plane
How to draw direction
Example:
100 ⇒ 100 , ത
100 ത , 001 , (001)
, 010 , 010 ത
< 100 >⇒ 100 , ത
100 ത , 001 , [100]
, 010 , 010
Miller Index
Interplanar spacing for a set of parallel planes (hkl):
1
d=
ℎ2 𝑘 2 𝑙 2
( 2 + 2 + 2)
𝑎 𝑏 𝑐
Coordination numbers:
o Simple cubic: 6
o Body centred cubic: 8
o Face centred cubic: 12
Interatomic Force and Force of Equilibrium
Interatomic Force and Force of Equilibrium
Interatomic Force and Force of Equilibrium
Energy at equilibrium
distance is known as
binding energy or
energy of cohesion.
Energy 𝑈0 is released
when two atoms are at
r = 𝑟𝑚 .
𝑟𝑚 is equilibrium
distance.
Bonding in Solid
To know exact nature of bonding, knowledge of charge distribution of
valence electrons are required.
a) Transfer of valence electrons takes place (ionic crystal:
NaCl).
b) Sharing of electrons takes place (covalent crystal:
diamond).
c) Free nature of valence electrons (metallic crystal: Cu).
d) Electrons are associated with original molecule (molecular
crystal: van der Waals bond, hydrogen bond)
First three types: Primary bond
Last type: Secondary bond
Bonding in Solid
Ionic NaCl
Bonding in Solid
Covalent Hydrogen
molecule
Bonding in Solid
Bonding in Solid
Metal looks like “positive ions in a sea of electrons”.
Good conductors of heat and electricity.
Malleable and ductile, and most are strong.
Their strength indicates that the atoms are difficult to separate.
The electrical conductivity suggests that it is easy to move electrons in
any direction in these materials.
The thermal conductivity also involves the motion of electrons.
Bonding in Solid
Even though the water molecule as a whole is electrically neutral, the
distribution of charge in the molecule is not symmetrical.
This leads to a dipole moment.
This leads to a net attraction between such polar molecules.
Hydrogen bonding is an example of van der Waals bonding.
Even nonpolar molecules experience some van der Waals bonding. Even
though the molecules don't have permanent dipole moments. The
fluctuations of molecular dipole moments lead to a net attraction between
molecules.
Hydrogen bond is the strongest van der Waals bond.
Queries
?
References