(Pg.

No 18)

1.4.2

Zinc Sulfide (ZnS) Crystal Structure:

Zinc sulfide (ZnS) is a unique compound that forms two types of crystalline structures - zincblende
(sphalerite) and wurtzite. Zincblende is cubic whereas wurtzite has a hexagonal structure. Here we shall
discuss zincblend structure.
Zincblende is a combination of two FCC lattices. If we take only sulpher ions they constitute an FCC
lattice. Similarly if we take only zinc ions, they constitute another FCC lattice. The unit cell of ZnS

000 ,

formed due to combination of these two FCC sub-lattices has S ions at

and

11
0
22

positions and Zn ions occupy

111
444

133
444

313
444

positions.

Fig. No.1.20 Unit Cell of Zinc Sulfide (ZnS)

( 18 8)+( 12 6)=4

Effective number of S ions/unit cell=nS =

Effective number of Znions/unit cell=nZn =4

Effective number of ZnS molecules /unit cell=n ZnS=4

11
22 ,

, and

1 1
0
2 2

331
444

CN
Coordination number ( ZnS)

: In a zinc sulfide crystal, about each ion, there are four equally

distant ions of opposite kind situated at the corners of a regular tetrahedron.

Coordination number=CN ZnS=4

IPF
(
ZnS) :
Ionic Packing Fraction

As shown in Fig. (1.20 ) in a unit cell of ZnS, the inter-ionic distance d is one fourth of the body diagonal

S 2
2 +
( 3 a ). The inter-ionic distance d is ( Zn +r ).
r
S 2
Zn2+ +r
3 a =r
d=

Fig. 1.21 Interionic distance of ZnS

2 +

Zn
Putting the values of
r

S
and
r

we get,

3 a =0.74 + 1.8 4
4

2.57

a=

Ionic Packing Fraction( IPF)=

Volume of unit cell,

4
(2.57 )=5.9 3
3

Volume of ionsunit cell (V ions ) n v

=
Volume of unit cell (V unit cell)
V
5.9 5

V unit cell=a 3=

Zn2 +
S2
r3
4
3
Volume of ions in unit cell, r + 4 3
4
4
3
V ions=

16
[ (0. 74)3+(1. 8 4)3 ] 3
3

11 1.17 3
IPF ZnS =

101.16 3
=0.52
210.64 3

Elemental semiconductors like silicon and germanium exhibit diamond cubic structure whereas
many compound semiconductors such as GaAs, GaSb, AgI, InAs, CdS etc. have zinc-blende
structure.

Corrections ---Numerical Chapters1 (Pg. No 22)

5. Calculate the packing fraction of sodium chloride from the following given data:
i). radius of sodium ion = 0.98 A0
ii). radius of chlorine ion = 1.81 A0
Solution-: Radius of sodium ion, r+ = 0.98 and radius of chlorine ion, r - = 1.81
We know that Na+ and Cl- ions touch each other along the cube edge.

Lattice parameter (a) = 2 (r+ + r -)

= 2 (0.98 + 1.81) A0

Ionic Packing Fraction=n

Volume of a molecule
volume of theunit cell

+ ion
Volume of Na

ion
Volume of Cl
+( ]

4
IPF=
+
r

3
4

0.98

3+(1.81)3

16
IPF=

3
Ionic Packing Fraction=0.662

6. Calculate the distance between two adjacent atoms of a NaCl crystal of FCC structure which has
density of 2.818 gm/cm3 (The atomic weight of Na = 23 and Cl = 35. 5)
Solution-:

Atomic weight (A) = 23+35. 5, A = 58. 5, n = 4 (FCC),

Density () = 2.18 gm/cm3

Formula-:

a3 =

nM
N

nM 13
4 58.5
a=
=
N
6.026 10 23 2.18

( ) (

1
3

a=5.1 6 108 cm

a=5.1 6

In NaCl crystal, Na+ and Cl- ions are arranged alternately. They touch each other along the cube edge.

+ +Cl

Therefore the distance between adjacent Na + and Cl- ions is

Na =d=

5.1 6 108
d=
cm
2
d=2. 5 8 108 c m
d=2. 5 8

a
2