Relation between density of crystal material (‘ρ’) and lattice constant (‘a’) of

cubic crystal

 Let us consider the case of a cubic lattice of lattice constant ‘a’

i.e. ‘a’ is the side of the unit cell.
 If ‘ρ’ is the density of the crystal, then
of the unit cell  a
3
 Volume

 We know that
mass
density (  ) 
volume
Hence
mass  density(  )  volume(v)

 Mass in each unit cell   a3 (1)

 Let there are ‘n’ molecules (Lattice points) per unit cell,
 ‘M’ is the molecular weight and
 ‘N’ is the Avogadro’s number (i.e. Number of molecules per kg mole of the substance).
 Then
 M
Mass of each molecule =
N

M
Mass in each unit cell = n (2)
N

From equations (1) and (2) we have

M nM
a  n 
3 a 
3

N N
1
 nM  3
a   
  N 

With the help of this equation, the value of lattice constant ‘a’ can be calculated.
1) Copper has FCC structure and its atomic radius is 1.278 A0.Calculate density of Cu.
Given atomic weight of Cu=63.5.

 Given: r = 1.278 X 10-8cm ; M = 63.5; n=4; ρ =?

4r 4 1.278 108
a   3.6152 108 cm
2 2
nM
a3 
N
nM 4  63.5
   8.9254 g / cm3
a3 N (3.6152 108 )3  6.023 1023
2) Calculate the lattice constant of rock salt (NaCl) crystal which has FCC structure
from the following data.

Given: Molecular Weight of NaCl=58.45,

Density of NaCl=2170 kg/m3
Avogadro’s number is 6.023X1026 per kg moles.
1
 nM  3
a 
 N 

1
 4  58.45  3

 2170  6.023 10 
26

 5.634 1010 m 5.634A0
3) A substance with face centered cubic lattice has density 6250 kg/m3 and molecular
weight 60.2. Calculate the lattice constant a.
Given-
Avogadro’s number =N= 6.023X1026 per kg moles.
Density of crystal= ρ = 6250 kg/m3
Molecular Weight= M =60.2
We know that
1
 nM  3
a 
 N 
1
 4  60.2  2
a 26 
 6250  6.02 10 

a  4 1010 m a = 4 A0
4) If the density of NaCl is 2.163 gm/cm3 and its molecular weight is 58.45, find the
spacing between planes parallel to the cubic lattice faces of NaCl crystal.
Given:
Avogadro’s number =N= 6.02 X 1023 per gm moles
Density of NaCl is ρ =2.163 gm/cm3
Molecular Weight= M = 58.45
1
We know that  nM  3
a 
  N 
1
 4  58.45  2
a 23 
 2.163  6.02 10 

a  2.83 108 cm
5) A crystal has a BCC structure. Its density is 10.2 x103 kg/m3 and its atomic weight is
95.94. Determine the radius of crystal atom.
 Density =  = 10.2 x103 kg/m3 M= 95.94
For Body centered cubic lattice n=2
N= 6.02x1026 (kg.mole)-1 r=?
2  95.94
1/3 1/3
 nM   
a a 3 
  6.02 10 10.2 10 
26
 N  
a= 3.15 A0

The atomic radius in BCC structure is given by

3.15 1.732
r 
a 3 r  r= 1.36 A0
4 4
6) The density of copper is 8980 kg/m3 and unit cell dimension is 3.61 A0 . Atomic
weight of copper is 63.54. Determine the crystal structure. Calculate atomic radius.
 Density =  = 8980 kg/m3 M= 63.54
N= 6.02x1026 (kg. mole)-1 r=?
a= 3.61 A0 =3.61x10-10 m

 nM 
1/3
N  a3 6.02 10  8980   3.6110
26

10 3

a  n n
 N  M 63.54

n = 4 atoms/unit cell.
Copper exhibits FCC structure.
a 2 3.611010 2
r  r
Atomic radius 4 4 r = 1.276 A0
7) The lattice constant for BCC structure at 200 C is 2.87 A0. The density is 7870
kg/m3. Determine its atomic mass.(Avogadro’s number 6.02 x1026 (kg. mole)-1 )
 Density =7870 kg/m3 a = 2.87 A0 = 2.87 X 10-10
For body centered cubic lattice n=2
N= 6.02x1026(kg. mole)-1 M=?

M n   N  a3
 M 
N  a3 n

7870  6.02 10   2.87 10

26

10 3
M  55.99kg
M
2
8) Using the following data find the type of unit cell GaAs forms:

Density of Ga As =5.324 gm/cm3 , atomic weight of Ga As is 144.6,

lattice constant =5.65 A0
 Density = 5.324 gm/cm3 = 5.324 X103 kg/m3 M= 144.6
a=5.65 A0 = 5.65X10-10 m
N= 6.02x1026(kg. mole)-1 n=?
M n   N  a3
 n
N  a3 M
5.324 10  6.02 10   5.65 10
3 26

10 3

n n  3.99  4
144.6

GaAs exhibits FCC structure.

9) Nickel is characterized by FCC lattice. The edge of the unit cell is 3.52 A0 .The
atomic weight of nickel is 56.71. Determine the density of the metal.
 Density = ? M= 56.71
For face centered cubic lattice n=4
N= 6.02x1026(kg. mole)-1 a= 3.52 A0 =3.52 X10-10 m

M n

N  a3

56.71 4

6.02 10   3.52 10
26

10 3

  8639.63kg / m3
10) The lattice constant for a unit cell of aluminum is 4.031Å Calculate the interplanar
space of (2 1 1) plane.

a = 4.031 Å
(h k l) = (2 1 1)
 Interplanar spacing

a 4.031  1010
d 
h 2  k 2  l2 22  12  12

 d = 1.6456 Å
11) Lead has a FCC crystal structure with an atomic radius of 1.746 A0. Calculate the
spacing between (200) and (220) planes.

4r
a 
2
4  1.746
a 
2
a  4.93 A0

a a
d 200  d 220 
h2  k 2  l 2 h2  k 2  l 2
4.93 4.93
d 200  d 220 
2
2 00 22  22  0
d 200  2.465 A0 d 220  1.74 A0