Crystal Chemistry

P.S. Sengupta
 Square Packing efficiency calculation:

(1) One sphere will be in constant contact with 4 other spheres hence coordination number is 4
(2) Side of Square is (a) and a=2r where r is the radius of atom (sphere).
(3) Area of square = a2 = 4r2 
(4) Area of atoms in the square is

(5) Packing fraction (PE) , fraction of area occupied by spheres .

 Hexagonal Packing efficiency calculation:

(1) One sphere will be in constant contact with 6 other spheres hence coordination number is 6
(2) Side of hexagon is a and a=2r where r is the radius of atom (sphere) .
(3) Area of hexagon unit cell is 6*area of six equilateral triangles 

(4) Area of atoms in the hexagon unit 

(5)  Packing fraction (PE) , fraction of area occupied by spheres 

The total potential energy is obtained by adding all the attractive and repulsive
energies between all the ions. The sodium ion Na + at point A is coordinated by 6Cl − ions
at a distance r0 . Therefore, the attractive potential energy of the sodium ion at A due to
these 6Cl − ions is   , Similarly 12Na + ions at 
  and 6Na + ions at 2r0 respectively contribute  and 
 

respectively. Thus the Coulomb energy of this Na + ion at A in the field of all other ions is

For a kmol /mol of the crystal, the total Coulomb energy is

The constant A is called Madelung constant

and A = 1.75 for NaCl structure