ME 1205, MATERIAL SCIENCE

SOLUTION SHEET 3: CRYSTAL STRUCTURE

1. The atomic packing factor is defined as the ratio of atom volume to the total unit cell volume,
or
Vol of atoms
APF 
Vol of unit cell

There are 4 atoms for each unit cell for FCC.

 4R 3  16R 3
Vol of atoms  4  
 3  3

The unit cell has a cubic symmetry with lattice constant a  2R 2

Vol of unit cell  a 3  2 R 2   3

 16 R 3 2

Therefore,

16R 3
APF  3  0.74
3
16 R 2

4R
2. Iron at 20oC is BCC with lattice constant a  and atomic radius 0.124 nm.
3

a
4R


4 0.124  10 9   0.286 nm
3 3

4R
3. Sodium at 20oC is BCC and has a lattice constant a   0.40788 nm .
3

4.
5.

6.
7. For BCC crystal structure,
4R
a
3
3
 4R 
Volume  a 3   
 3
To find density:
nA 2 95.94  2 95.94 
  
VC N A  4R 

3


 6.023  10 23



 4 0.1363  10 9 
3
 
 6.023  10 23 
 3  3 
 10.98 g / cm 3

8. To find the crystal structure, we need to find ρ in the case where niobium has a (a) FCC and (b)
BCC structure and compare the density value to the given one.

If Niobium has a FCC structure,

nA 4 92.91 4 92.91
  
VC N A  3

2 R 2 6.023  10 23  
2 2 0.1430  10 9
3

6.023  10 23   
 9.33 g / cm 3

If Niobium has a BCC structure,

nA 2 92.91 2 92.91
  
VC N A  4R 
3

 
 4 0.1430  10 9 

3
  
  6.023  10   6.023  10 23
23

 3  3 
 8.57 g / cm 3

By comparing the both values of density to the given one, we can conclude that niobium has
a BCC structure.

9. (a) There is only 1 atom along the [100] direction for a BCC structure.
 1 1
 LD100    3.29  10 6 atoms / m
a 0.3039  10 9 mm

(b) There is only 1 atom along the [110] direction for a BCC structure.

1 1
 LD110    2.33  10 6 atoms / m
a 2  0.3039 10 m 2
9

(c) There are 2 atoms along the [111] direction for a BCC structure.

2 2
 LD111    3.80  10 6 atoms / m
a 3  0.3039  10 m  3
9

10. (a) There are 2 atoms in the (100) plane for a FCC structure.

2 2
 PD100    1.20  1013 atoms / m 2
a 2

0.40788  10 9 m  2

(b) There are 2 atoms in the (110) plane for a FCC structure.

2 2
 PD110    8.50  1012 atoms / m 2

aa 2  
2 0.40788  10 9
m  2

(c) The portion of an FCC (111) plane contained within a unit cell is shown below.

There are 6 atoms in the (111) plane. If we consider half of the triangle,

 4R  2   2R  h 2
2

h  2R 3

 Area 
1
2

 4R  2R 3  4R 2 3
We need to find R using the lattice constant a. They are related in an FCC through,

a  2R 2
a 0.40788  10 9
R   144.207  10 12 m
2 2 2 2

Therefore,
 2 2
PD111    1.388  1013 atoms / mm 2
4R 2
3 
4 3 144.207  10 12 2


11. Using Bragg’s Law,

2a sin 

h2  k 2  l 2

 h 2  k 2  l 2  0.1541  10 9  2 2  2 2  12
a   0.3303 nm
2 sin  2 sin 88.838
2
 

12. (a) To determine the crystal structure of the element, we choose two sin 2θ calculate from the 2θ
diffraction angles.


sin 2  A  sin 2 40.663  0.120722
2


sin 2  B  sin 2 47.314  0.16101
2

sin 2  A 0.120722
  0.75
sin 2  B 0.16101

Therefore, the crystal structure is a FCC.

(b) Using Bragg’s Law,

2a sin 

h2  k 2  l 2

 h2  k 2  l 2
a
2 sin 

For the FCC crystal structure, the principal diffracting plane is {111}.

 a
0.15405  10  9
12  12  12
 0.383971 nm

2 sin 40.663
2
