MM 201

Structure of Materials

Assignment – 2

1. CuZn is disordered at high temperatures, with Zn and Cu atoms randomly occupying all
the sites on the bcc lattice. In this case, the atomic scattering factor of each site can be
taken to be the average of fZn and fCu. At room temperature, it is ordered with Cu atoms
on (000) sites and the Zn atoms occupying the remaining site. Write the expression for
the structure factor Fhkl for both the ordered and disordered states in terms of fZn and fCu,
and indicate systematic absences if any. Draw a schematic diagram of Intensity versus 2θ
for ordered and disordered CuZn.

2. Au3Cu is disordered at high temperatures, with Au and Cu atoms randomly occupying all
the sites on the fcc lattice. At room temperature, it is ordered with Cu atoms on (000)
sites and the Au atoms occupying the remaining sites. Write the expression for the
structure factor Fhkl for both the ordered and disordered states in terms of fAu and fCu, and
indicate systematic absences if any.

3. KCl and NaCl crystallize in the rocksalt (NaCl, fcc) structure. The x-ray pattern of one of
them shows fewer lines compared to the other. Can you explain why? The atomic
numbers are K = 19, Na = 11 and Cl = 17

4. MgO and CaO have lattice constant of 4.1A and 5.5 A respectively. If Cu Kα, λ = 1.54 A,
radiation is used what is the theoretical number of reflections for each of them.

5. Find the ratio of I111 to I220 for a powder sample of CaF2 that crystallizes in the fluorite
(fcc) structure when an experiment using Cu Kα, λ = 1.54 A is performed. The lattice
parameter is 5.463 A. The atom positions are

Ca : 000 + fcc F : ¼ ¼ ¼ + fcc F: ¾ ¾ ¾ + fcc

Assume fCa = 20 and fF = 10 in all your calculations. Ignore the temperature factor.