CH 211 Tutorial

CH 211
Crystalline State Chemistry
Tutorial -2020
1. Given below is the section of a crystal lattice of an ionic solid. Larger and smaller spheres
represent anions and cations respectively.
a) What would be the unit cell type of this crystal ?

b) Sketch the unit cell of this lattice.
c) Calculate the number of anions and cations per unit cell.
d) Give the empirical formulae of this compound.
e) Give three ionic compounds having this structure.
2. a) Write down the Bragg’s law.

b) Write down the d-spacing equations for orthogonal unit cells.
c) X-rays of wavelength =1.54 Å are reflected from the (2 2 2) and (3 0 0) planes of a lattice
with unit cell length a = 5. 25 Å. Calculate the Bragg angles, , for n=1.
3. Calculate the theoretical value of the lattice energy of NaCl using the data given below.
Avogadro constant = 6.022 x 1023 mol-1
Madelung constant = 1.7476
Charge of an electron = 1.602 x 10-19 C
Inter nuclear distance = 0. 281 nm
Born exponent for cation and anion = 7 and 9
Dielectric constant of vacuum = 8.854 x 10-12 s4 A2 kg-1 m-3
The experimental value obtained for the lattice energy of NaCl is 970 kJ mol-1. If there is a
significant difference between the value that you calculated and the value observed, comment on
that.
4. a,b,c are the dimensions of a unit cell. Hypothetical planes make the following sets of
intercepts along the a,b,c directions respectively relative to the origin at (0,0,0).
(i) -a/2, b/5, -c/3 (ii) 3a, 2b, -2c/3 (iii) a/4, b/10, c/6 (iv) 2a, -5b, 3c
(v) 2a/3, 1b, 2c/5 (vi) 15a, -6b, 10c (vii) a/5, b/4, c/5 (viii) , , -c
(ix) a3, -b4, c2 (x) a/2, –2b, -4c (xi) a/16, -b/4, -c/2
Determine the Miller indices of these planes and comment on any relationships among them.
5. Calculate the packing factor of KBr if the unit cell length is 6.58 Å and ionic radii of K+ and Cl-
ions are 1.52 Å and 1.67 Å respectively.
6. Compare and contrast the properties of ionic solids and molecular solids.
7. The diffraction coming from (200) plane of a NaCl crystal occurs at an angle of 5.90o. Calculate
the length of the side of the NaCl unit cell and the d spacing of the (222) plane (= 0.581 Å).
8. What are characteristic K lines of the X-ray spectrum of an element and how they are generated?
9. Sketch the unit cells of Body Centered Cubic (BCC) and Face Centered Cubic(FCC) and
calculate the number of lattice points per unit cell of each. If a metal can recrystallize in two
polymorphic forms having BCC and FCC structures, explain which polymorphic form can give a
higher intense peak in the diffraction pattern for (100) plane.
10. Write down the Kapustinskii equation.
Using Kapustinskii equation estimate the lattice energy of K2SO4. K= 1.21×10−4 J·m·mol−1
d = 3.45×10−11 m. Thermodynamical radii of K+ = 1.38 Å and SO4 = 2.30 Å
11. A crystalline powder sample contains a mixture of NaCl, RbCl and LiCl in 1:1:1 ratio, in which
all three compounds adopt the structure type of NaCl. If you use powder X-ray
diffraction(PXRD) method to identify them, predict giving reasons,
i) which compound would give the highest intense peak in the PXRD pattern.
ii) Which of the following crystal planes would give the strongest peak in the diffraction pattern of
each? (100) or (200) or (400) plane.
12. The ReO3 structure has a cubic unit cell type with Re at each corner of the unit cell and O atoms
at the middle point between Re atoms on cell edges.
i) Sketch this unit cell.

ii) Determine the coordination numbers of cations and anions.
iii)Calculate the number of formula units per unit cell.
Iv)Calculate the packing factor for this unit cell if both cation and anion have the same ionic
radii, r and unit cell length is a
13.Discuss briefly the applications of X-ray powder diffraction method.
14. List the Miller indices of the crystal planes belonging to {4,3,2} zone
15. A cubic crystal with a=0.430 nm is mounted along the b axis to get an X-ray diffraction
Oscillation photograph. The radius of the film holder is 3.00 cm and the wave length of the X-rays
used is 0.154 nm. Calculate the distances from (h0l) layer to (h1l) and to (h2l) layers in the
photograph.

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CH 211

Crystalline State Chemistry

a) What would be the unit cell type of this crystal ?

2. a) Write down the Bragg’s law.

10. Write down the Kapustinskii equation.

i) Sketch this unit cell.

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