MSE 3010 Fall 2001

Second test, October 25th

MAX POSSIBLE SCORE 44 Points

1) Using the Wulff net and tracing paper that has been provided. Plot a pole at 30º N 50º W
on a stereographic projection (on the tracing paper). Mark on the drawing the trace of this
pole. Plot another pole at 20º S and 30º E. Determine the angle between the two poles
that you have on your stereographic projection. Note that the north pole is at 90º N and 0º
E, the east pole is at 0º N and 90º E etc. 6 POINTS
Angle between poles is ~92 degrees.
2) Determine in order of increasing angle the line positions (2θ) and Miller indices (hkl) for
the first three lines that are observable (not systematically absent due to lattice centering)
from the following materials (assume that the radiation wavelength is 1.54056Å):
( 9 POINTS)
a) A simple cubic compound a = 8.26Å

hkl 100 d 8.26 θ

2θ 10.70
hkl 110 d 5.84 θ=
2θ 15.16
= hkl 111 d 4.77 θ=
2θ 18.59

b) A face centered cubic compound a = 8.26Å

hkl 100 d 8.26 absent

hkl 110 d 5.84 absent
= hkl 111 d 4.77 θ=
2θ 18.59
hkl 200 d 4.13 θ=
2θ 21.50
hkl 210 d 3.69 absent
hkl 211 d 3.37 absent
hkl 220 d 2.92 θ=
2θ 30.59

c) A primitive tetragonal phase a = 8.26, c = 8.00Å

hkl 100 d 8.26 θ

2θ 10.70
hkl 001 d 8.00 θ
2θ 11.05
hkl 110 d 5.84 θ=
2θ 15.16

3) Make a scale drawing of the Ewald construction for (100) diffraction from a primitive
cubic material a = 4.0Å assuming that the radiation wavelength is 1.00Å and keeping the
a*-b* plane coincident with both the plane of the drawing and the plane of the incident
and diffracted beams. Use a ruler and compass to construct this drawing – do not do it
free hand!! Mark and label the reciprocal lattice points 100, 200, 010, 020, 110, and 220
on this drawing. By how much would you have to rotate the crystal from the (100)
diffraction condition to see (200) diffraction (you can do this by calculation you do not
have to measure from the drawing)? 8 POINTS
4) What is the smallest d-spacing reflection that you can measure using Cu Kα (1.5418Å)
radiation? 2 POINTS

0.77 Å

5) The limiting sphere for an experiment doubles in radius as the wavelength is halved.
What happens to the maximum number of measurable reflections as the wavelength is
halved? (Does the number go up or down? If it does change, does the number double,
triple…???) 2 POINTS

The maximum number of measurable reflections increases by a factor of 8.

6) A cubic crystal with lattice constant 3.0Å contains two identical atoms per unit cell at
positions ¼,0,0 and 3/4,1/2,1/2.

a) Write down an expression for the structure factors of this crystal

πh/2) + f exp(iπ(3
F(hkl) = f exp(iπ π(3h/2+k+l))
π(3 πh/2) [1 + exp(iπ(
= f exp(iπ π(h+
π( +k+l))]
3 POINTS
b) What is the Bravais lattice for this material.

Body centered cubic 2 POINTS

c) Calculate values for the structure factors of the 100 and 220 reflections using the form
factor values given in the following table (note that you need to calculate the value of
sinθ/λ for the reflections of interest and then look up the appropriate value of the form
factor in the table). 4 POINTS

(Sinθ)/λ f
0.0 30.00
0.05 29.39
0.1 27.92
0.15 26.14
0.20 24.33
0.25 22.54
0.30 20.77
0.35 19.13
0.40 17.42
0.50 14.51

θ/λ
For the (100) reflection sinθ λ = 0.167, but reflection will be systematically absent!
θ/λ
For the (220) reflection sinθ λ = 0.47, form factor will be approximately 14.5.

So F(220) = 14.5 x –1 x (1+1) = -29

7) Using the appended pages from the Hanawalt index, identify the phase in the sample that
was used to record the following diffraction data (indicate the PDF card number for the
phase). 46-1045 8 POINTS

d/Å I
4.25 16
3.34 100
2.46 9
2.28 8
2.24 4
2.13 6
1.98 4
1.82 13
1.67 4
1.66 2
1.54 9
1.45 2
1.38 6
1.375 7
1.372 5
1.288 2
1.256 3