Assignment-MM 358

1. Graphite is hexagonal with 4 atoms per unit cell in the positions 000, 1/3 2/3 0, 0 0 ,
1/3 2/3 . Show that structure factor is given by
l = even = 4 2 2 ( + 2)/3
l = odd = 22( + 2)/3
For what combinations of h k l will the structure factor vanish?
2. Cesium chloride (CsCl) is a simple cubic with one CsCl per unit cell; Cs(0 0 0), Cl
(1/2 1/2 1/2). Derive simplified structure factor F. Will there be any systematic
vanishing?
3. A unit cell of a tetragonal crystal structure has atoms positioned at the following
locations:
0 1/2 1/4, 1/2 0 1/4, 1/2 0 3/4, 0 1/2 3/4
Find out the expressions for structure factor.
4. A diffraction peak for (111) plane is obtained at an angle of 38.44 on an Al specimen
using CuK radiation (=1.54178 A). Given atomic weight of Al is 27. Calculate the
density of the specimen.
5. A sample of BCC metal was placed in an x-ray diffractometer using x-rays with a
wavelength of = 0.1541 nm. Diffraction from the {221} planes was obtained at 2 =
88.838 Calculate a value for the lattice constant a for this BCC elemental metal.
(Assume first-order diffraction, n = 1.)
6. X-rays of an unknown wavelength are diffracted by a gold sample. The 2 angle was
64.582 for the {220} planes. What is the wavelength of the x-rays used? (The lattice
constant of gold = 0.40788 nm; assume first-order diffraction, n = 1.)
7. An x-ray diffractometer recorder chart for an element that has either the BCC or the
FCC crystal structure showed diffraction peaks at the following 2 angles: 41.069,
47.782, 69.879, and 84.396. (The wavelength of the incoming radiation was
0.15405 nm.)
(a) Determine the crystal structure of the element.
(b) Determine the lattice constant of the element.
(c) Identify the element.
8. An x-ray diffractometer recorder chart for an element that has either the BCC or the
FCC crystal structure showed diffraction peaks at the following 2 angles: 38.60,
1

55.71, 69.70, 82.55, 95.00, and 107.67. (Wavelength of the incoming radiation
was 0.15405 nm.)
(a) Determine the crystal structure of the element.
(b) Determine the lattice constant of the element.
(c) Identify the element.
9. A sample of BCC iron was placed in an x-ray diffractometer using incoming x-rays
with a wavelength = 0.1541 nm. Diffraction from the {110} planes was obtained at
2 = 44.704 Calculate a value for the lattice constant a of BCC iron. (Assume first
order diffraction with n = 1.)
10. An x-ray diffractometer recorder chart for an element that has either the BCC or the
FCC crystal structure shows diffraction peaks at the following 2 angles: 40, 58, 73,
86.8, 100.4, and 114.7. The wavelength of the incoming x-ray used was 0.154 nm.
(a) Determine the cubic structure of the element.
(b) Determine the lattice constant of the element.
(c) Identify the element.
11. A cubic crystal contains 8 carbon atoms in its unit cell positioned at locations as
stated below: (000), (1/2 1/2 0), (1/2 0 1/2), (0 1/2 1/2), (1/4 1/4 1/4), (3/4 3/4 1/4),
(3/4 1/4 3/4), (1/4 3/4 3/4). Find the expression for structure factor of the above
crystal.
12. A CuK radiation is being used for diffraction experiment. The filter to be used is a Ni
foil. It is required to produce an intensity ratio of 100/1 in the filtered CuK and CuK
radiation. Determine the thickness of the Ni foil and transmission factor for the CuK
line, / for CuK radiation is 286 cm2/gm. For unfiltered radiation IoK/IoK = 7.5,
the density of Ni is 8.90 gm/cm3. / of Ni for CuK radiation is 49.3 cm2/gm.
13. Calculate the volume of the Zinc crystal structure unit cell by using the following
data: pure Zn has the HCP crystal structure with lattice constants a=0.2665 nm and
c=0.4947 nm.
14. Calculate the theoretical volume change accompanying a polymorphic transformation
in a pure metal from FCC to BCC crystal structure. Assume the hard sphere atomic
model and that there is no change in atomic volume before and after the
transformation.
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