CH 211 Tutorial New
CH 211 Tutorial New
2019/2020
Crystalline State Chemistry
Tutorial 2
1. 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).
Determine the Miller indices of these planes.
(i) a/2, b/4, c/3 (ii) a, b/4, 2c/3 (iii) a/4, –b/8, -c/6 (iv) a/6, -b/4, -c/2
2. 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) 3a/2, b, -c/3 (ii) 3a, 2b, -2c/3 (iii) 2a, 3b, c (iv) 3a/4, b/2, -c/6
(v) -a/2, -b/5, -c/3 (vi) 2a/3, 1b, 2c/5 (vii) a/4, b/10, c/6 (viii) 15a, 6b, 10c
Determine the Miller indices of these planes and comment on any relationships among
these planes.
4. Sketch the planes in a tetragonal unit cell having the Miller indices of
(i) (222) (ii) (110) (iii) (-4 2 0) (iv) (-1 0 -1)
7. Compare and contrast the properties of ionic solids and molecular solids
8. Calculate the atomic packing factors for (i) body centered cubic structure
(ii) face centered cubic structure
9. The unit cell structure of an ionic compound containing anions (X) and cations (M) is
given below.
10. Chromium crystallizes in a bcc structure. The chromium atom has a radius of 1.40 Å.
i) Calculate the length of the unit cell edge a
ii) Calculate the volume of the above unit cell
iii) Calculate the packing efficiency (packing factor) of this system.
11. Calculate the incident angles for the maximum reflections occuring at the (200) and ( 4 -
1 0) planes of the cubic AgCl for the filtered Cu radiation ( Cu = 0.15418 nm). Cell
parameter of AgCl is 0.55491 nm.
13. Explain, how you would identify an unknown solid crystalline sample using powder
diffraction method.
14. The copper metal has face centered cubic structure with a unit cell edge length of 3.60 A.
15. Sketch and indicate the salient features in the structure of zinc blend, ZnS. The radii of
Zn2+ and S2- are respectively, 0.074 and 0.184 nm.
16. Give the names of seven unit cell types and the general unit cell dimensions of them.
17. Anatase, Rutile and Brucite are three polymorphic forms of TiO2. If you are provided
with three unlabeled samples of TiO2, from which one sample belongs to Rutile form and
other two belong to Anatase form. Explain briefly how you would identify them using X-
ray diffraction technique. ( Experimental details are not required)
18. In the powder X-ray diffraction pattern of compound B, three strong peaks were observed
for the first order diffractions arising from (111), (002), and (500) crystal planes.
Determine the 2 values of those peaks, if the compound belongs to the face centered
cubic type. ( a = 0.460 nm). Wave length of the radiation used is Cu = 0.154 nm.
20. 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.
21. 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).
22. What are characteristic K lines of the X-ray spectrum of an element and how they are
generated?
23. Sketch the unit cells of Body centred cubic(BCC) and Face centred cubic(FCC) and
calculate the number of lattice points per each unit cell.
Explain which polymorphic form can give a higher intense peak in the diffraction pattern
for (200) plane.
24. 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? (100) or (200) or (400) plane.
25. The ReO3 structure has a cubic unit cell type with Re at each corner of the unit cell and
one O atom on each unit cell edge at the middle point between Re atoms.
(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