Crystallography

NUMERICALS ON CRYSTALLOGRAPHY
1. Molybdenum has BCC structure. Calculate atomic radius and mass density.
Given that lattice constant a = 3.15 A0, atomic weight of Mo = 95.94 and
Avogadro’s Number = 6.023 x 1026 / kg-mole.
n= 2 (BCC structure)
M = 95.94
NA = 6.023 x 1026 / kg-mole.
a = 3.15 A0 = 3.15 x 10-10 m
For atomic radius,
3 3  3.15  10 -10
r  a   1.364  10 -10 m
4 4

For Mass density,

n M 2  95.94
ρ  
NA a3 6.023  10 26  (3.15  10 -10 ) 3
191.88
 3
 1.0193  10 4 kg / m 3
18.825  10
2. Aluminium has density 2.7 gm/cm3. Its atomic weight is 27 and lattice parameter is
4.05 A0. Determine the type of crystal structure followed by Aluminium.
NA = 6.023 x 1023 / gm-mole.
1
 n M  3
a   
 NA  
a3 NA 
 n 
M


4.05  10  -8 3
 2.7  6.023  10 23
27
 4.001  4
Thus n = 4 indicates that Aluminium has FCC structure.
3. Calculate density of GaAs using following data :
Atomic weight of Ga = 69
Atomic weight of As = 74
Lattice constant for GaAs = 5.6 x 10-8 cm
Number of molecules per unit cell = 4

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 Crystallography

Avogadro’s Number = NA = 6.023 x 1023 /gm-mole

Molecular weight of GaAs = M = 69 + 74 = 143
n M
We know, a3 
 NA
n M 4  143
   
NA a3 
6.023  10 23  5.6  10 -8 3

572
  5.408 gm / cm 3
105.77

4. Draw the following [ 0 11 ] , [ 1 2 1 ]

Z Z

[0 1 1 ]

1c [121]
-1b Y Y

[ 1 2 1 ] is indicated by a vector
X
1a+2b+1c i.e. 1/2a+1b+1/2c
X [ 0 1 1 ] is indicated by a vector
0a-1b+1c

5. Draw the following [ 1 2 3 ] , ( 0 1 1 )

Z
Z

(011)
[12 3]

Y
Y

X X

[ 1 2 3 ] is indicated by a vector
For ( 0 1 1 ) plane, Intercepts on
1a-2b+3c i.e. 1/3a-2/3b+1c
X, Y, Z axes are  , -1 and 1 resp.

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 Crystallography

6. Draw the following ( 1 2 1 ) , ( 1 2 3)

Z
Z

(121)

Y Y

For ( 1 2 1 ) plane, Intercepts on X

X
X, Y, Z axes are  , 1/2 and 1 resp. For ( 1 2 3 ) plane, Intercepts on
X, Y, Z axes are , -1/2 and 1/3 resp.

7. Silver has FCC structure and its atomic radius is 1.44 A0. Find the spacing of the
(220), (200) and (111) planes.
4r 4  1.44
For FCC structure, a    4.073 A 0
2 2
a
Now, d hkl 
h 2  k 2  l2
4.073
For (220) plane, d 220   1.44 A 0
2 2 2
2  2  0
4.073
For (200) plane, d 200   2.036 A 0
2 2 2
2  0  0
4.073
For (111) plane, d 111   2.35 A 0
2 2 2
1 1 1
8. A crystal lattice plane (326) makes an intercept of 1.5 A0 on X-axis in a crystal
having lattice constant 1.5 A0, 2 A0 and 2 A0 respectively on X, Y and Z axis. Find Y
and Z intercept.

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 Crystallography

Given : (h k l) = ( 3 2 6 )
a = 1.5 A0, b = 2 A0, c = 2 A0
a 1.5 A 0
Intercept on X - axis    0.5 A 0
h 3
b 2A 0
Intercept on Y - axis    1 A0
k 2
c 2 A0 1
Intercept on Z - axis    A0
l 6 3
0
But actual intercept on X - axis is given as 1.5 A
which is 3 times more than the actual intercept.
 intercept on Y - axis  1 A 0  3  3 A 0
1 0
intercept on Z - axis  A  3  1A0
3
9. Calculate the velocity and Kinetic energy of electrons striking the target in an X-
ray tube operating at 3500 volts.
V = 3500 volts, m = 9.1 x 10-31 kg, e = 1.6 x 10-19 C.
Kinetic energy of electrons is same as electrical energy supplied to them.
1
 m v2  e V
2
eV 1.6  10 19  3500
v   31
 3.508  10 7 m/s.
2m 2  9.1  10
1
Kinetic energy  m v 2  e V  1.6  10 19  3500  5.6  10 16 J
2
10. Bragg’s reflection of the first order was observed at 21.70 for parallel planes of a
crystal under test. If the wavelength of X-rays used is 1.54 A0, find the interplanar
spacing for the planes in the crystal.
n = 1, λ = 21.70, θ = 1.54 A0 = 1.54 x 10-10 m.

According to Bragg’s law of x-ray diffraction,

2 d sin θ  n λ
n λ 1  1.54  10 10
 d    2.083  10 10  2.083 A 0
2 sin θ 2  sin (21.7 0 )

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 Crystallography

11. The spacing between the principle planes in a crystal of NaCl is 2.82 A0. It is found
that the first order Bragg’s reflection occurs at 100.
a) What is the wavelength of X-rays?
b) At what angle, the second order reflection occurs?
What is the highest order of reflection seen?
d = 2.82 A0 = 2.82 x 10-10 m, n = 1, θ = 100
a) According to Bragg’s law
2 d sin θ  n λ
2 d sin θ 2  2.82  10 10  sin 10 0
     0.979  10 10  0.979 A 0
n 1
b) For n = 2
2 d sin θ  n λ
n λ 2  0.979  10 10
 sin θ    0.347
2 d 2  2.82  10 10
   sin 1 (0.347)  20.310
c) For the highest order, maximum value of sin θ = 1
2 d sin θ  n λ
2 d (sin θ) max 2  2.82  10 10  1
 nmax    5.76
 0.979  10 10
Thus, highest order that can be seen is nmax = 5
12. Calculate the smallest glancing angle at which k-copper line of 1.549 A0 will be
reflected from crystal having atomic spacing 4.255 A0.
n = 1, λ = 1.549 A0 = 1.549 x 10-10 m, d = 4.255 A0 = 4.255 x 10-10 m.
According to Bragg’s law of X-ray diffraction,
2 d sin θ  n λ
n λ 2  1.549  10 10
 sin θ    0.182
2 d 2  4.255  10 10
   sin 1 (0.182)  10.48 0
13. Calculate the glancing angle on the cube (100) of a rock salt (a = 2.814 A0)
corresponding to 2nd order diffraction maximum for X-rays of wavelength 0.714 A0.
a = 2.814 A0 = 2.814 x 10-10 m, (hkl) = (100),
n = 2, = 0.714 A0 = 0.714 x 10-10 m.

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 Crystallography

interplanar spacing is given by -

a 2.814
d hkl    2.814 A 0
2 2 2 2
h  k  l 1 00
According to Bragg’s law of X-ray diffraction,
2 d sin θ  n λ
n λ 2  0.714  10 10
 sin θ    0.2537
2 d 2  2.814  10 10
   sin 1 (0.2537)  14.70 0
14. In comparing the wavelengths of two monochromatic X-ray lines, it is found that
line A gives a 1st order Bragg reflection maximum at a glancing angle of 300 to the
smooth face of a crystal. Line B of known wavelength of 0.97 A0 gives 3rd order
reflection maximum at a glancing angle of 600 with the same face of the same
crystal. Find wavelength of line A.
For line A, n = 1, θ = 300, A=?

2 d sin θ  n λ A
2 d sin θ 2 d sin30 0
 A    d
n 1

For line B, n = 3, θ = 600, d =  A,  B = 0.97 x 10-10 m

2 d sin θ  n λ B
 2   A  sin 60 0  3  0.97  10  10
3  0.97  10  10
A   1.68  10  10 m  1.68 A 0
0
2  sin 60
15. Calculate the maximum order of diffraction if X-rays of wavelength 0.819 A0 is
incident on a crystal of lattice spacing 0.282 nm
Given : = 0.819 A0 = 0.819 x 10-10 m. d = 0.282 nm = 0.282 x 10-9 m
nmax = ?
2 d sin θ  n λ
2 d (sin θ) max 2  0.282  10 9  1
 nmax    6.88
 0.819  10 10
Maximum number of orders seen is 6

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 Crystallography

QUESTION BANK ON CRYSTALLOGRAPHY

1. Write a short note on - Definition of Miller indices and steps to find out Miller indices
of a particular lattice plane. (5)
2. “Miller indices, in practice, do not define a particular plane, but a set of parallel
planes.” Explain this statement with the help of examples. (5)
3. How planes having different intercepts can have similar Miller indices? Explain with
suitable example. (5)
4. Draw the following planes (1 2 3), (110), (231) (3)
5. Draw the following directions [1 1 2], [2 0 0], [201] (3)
6. Draw the following in the cubic unit cell :- (4)
Planes (121), (110)
Directions [120], [111]
7. Write a short note on - Miller Indices and crystal lattice planes. (5)
8. Mention features of Miller indices. (3)
9. Explain procedure to determine Miller Indices of crystal plane which intercepts all the
three axes. (5)
10. What are the miller indices? Derive an expression for inter-planar spacing for the
planes having (h k l) as the miller indices. (5)
11. Derive the expression for interplanar distance in terms of lattice parameter. (5)
12. Obtain Bragg's law of X-ray diffraction. (3)
13. What are X-rays? Why X-rays are preferred to study crystalline solids? (3)
14. Explain construction and working of Bragg's X-ray spectrometer. (5)
15. How can we determine crystal structure with observations obtained using Bragg’s X-
ray spectrometer? (5)

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