MES 604 Chemistry of Materials Spring 2017

Chapter 3 Crystal Structures Homework

Due Date: February 22,2017

l. State the coordination number of a sphere in each of the following arrangements: (a) ccp; (b)
hcp; (c) bcc; (d) fcc; (e) simple cubic. [10 pts]
2. Lithium metal undergoes a phase change at 80K (1 bar pressure) from the cr- to B-form; one
form is bcc and the other is a close-packed lattice. Suggest, with reasons, which form is
which. What name is given to this type of structural change? [10 pts]
a
Which of the following schemes for the repeating pattern of close-packed planes are not
ways of generating close-packed lattices? (a) ABCABC ...; (b) ABAC ...; (c) ABBA ...; (d)
ABCBC ...; (e) ABABC...; (f) ABCCB ... . [10 pts]
4. For NaCl, CsCl, TiOz, and CaFz crystal, determine the coordination number of cation and
anion, and the number of formula units in a unit cell. [15 pts]
5. Depending upon the temperature, RbCl can exist in either the rock-salt or cesium-chloride
structure. (a) What is the coordination number of the anion and cation in each of these
structures? (b) In which of these structures will Rb have the higher apparent radius? (c) Draw
the2D projection diagram of each crystal structure. [15 pts]
6. The ReO: structure is cubic with Re at each corner of the unit cell and one O atom on each
unit cell edge midway between the Re atoms. Sketch this unit cell and determine (a) the
coordination number of the cation and anion and (b) the identity of the structure type that
would be generated if a cation were inserted in the center of the ReO: structure. [10 pts]
7. Sodium metal (Na) adopts a cubic unit cell that has atoms at the following positions: (0,0,0)
and ( t/z,t/2, %). The unit cell parameters are: 1429.06 pm, b:429.06 pm, c:429.06 pm, cr: B
:y: 90.00o. (20pts)
(a) What is the radius of Na atom?
(b) Calculate the fraction of space occupied by sodium?
(c) Is the crystal structure of Na a close-packed structure?
(d) What is the density of Sodium? Show your calculations. Avogadro's number
N:6.023xi 023.
8, Confirm that the unit cell for perovskite shown in Figure below is consistent with the
stoichiometry CaTiO3. (10 pts)