3.

091 Fall Term 2007

Homework #6
Solution Outline

12.62 The information given is only sufficient to calculate what the density of tungsten
would be if it where simple cubic, BCC or FCC. Afterward, compare the densities
with the actual density to determine the lattice structure of tungsten.

density: 19.3 g/cm3

molar mass = 183.8 g/mol
mass of one atom = (183.8 g mol-1/6.02 * 1023 atom mol-1) = 3.05 * 10-22 g atom-1
Atomic radius (r) = 1.39 * 10-8 cm

Simple BCC FCC

1 atom in unit cell 2 atoms in unit cell 4 atoms in unit cell
a = 2r a = 4r/(√3) a = (2√2)*r
volume = a3 = (2.78 * 10-8)3 3
volume = a = (3.21*10 ) -8 3
volume = a3 = (3.93 * 10-8)3
= 2.15 * 10-23 cm3 = 3.31 * 10-23 cm3 = 6.07 * 10-23 cm3
density = mass/ volume density = mass/volume density = mass/volume
= 3.05 * 10-22/2.15 * 10 -23 = (2*(3.05*10-22))/(3.31*10- = (4*(3.05*10-22))/(6.07*10-
23 23
) )
= 14.2 g/cm3 =18.4 g/cm3 =20.1 g/cm3
FCC and BCC are close, to settle this use percent error. The percent error of BCC
is 4.66 % while the percent error of FCC is 4.15%. Even though FCC seems the
correct choice, the actual structure of tungsten is BCC. This discrepancy is
probably due to round off error. Both FCC and BCC will be accepted as answers.

12.68 To determine a (cell edge length) and r (atomic radius), do the following:
molar mass = 50.9 g/mol
mass of one atom = (50.9 g mol-1 /6.02 * 1023 atom mol-1) = 8.46 * 10-23 g atom-1
2 atoms in bcc; mass of unit cell is 2 * (8.46 * 10-23 g) = 1.69 * 10-22 g
volume = mass/density = (1.69 * 10-22g)/(6.11 g/cm3) = 2.77 * 10-23 cm3
a=volume1/3; a = (2.77 * 10-23)1/3 cm = 3.03 * 10-8 cm = 303 pm
r = (a√3) = 1.31 * 10-8 cm = 131 pm
4

1
12.78 One has to draw the unit cell first. CCP is identical to FCC when turned on the
side. So the unit cell of flourite looks like:

Using this figure you can count the number of atoms of Ba and F. The Ba ions fall
into a FCC structure, so there are 4 of them: 8 along the corners (each counts as
1/8th of an atom) and 6 along the faces (each counts as ½ of an atom). 8*(1/8) +
6*(1/2) = 4. There are 8 F- ions; each blue dot is one F- ion. The ratio of Ba+ ions
to F- ions is 1:2, so the empirical formula is BaF2.

1. In BCC there are 2 atoms/unit cell, so 2 = Nav, where Vmolar = A/ρ

a3 Vmolar
(A is atomic mass of iron)
1/3
2 = Nav * ρ → a = ( 2A ) = 4r
a3 A (Nav * ρ)1/3 √3
-8
r = 1.24 * 10 cm

if we assume that change of phase does not change the radius of the iron atom,
then we repeat the calculation in the context of an FCC crystal structure, i.e., 4
atoms per unit cell and a = (2√2)r

ρ= 4A = 8.60 gcm-3
Nav * ((2√2)r)3

FCC iron is more closely packed than BCC suggesting that iron contracts upon
changing from BCC to FCC. This is consistent with the packing density
calculations reported in lecture that give FCC as being 74% dense and BCC 68%
dense. The ratio of the densities calculated here is the same:
7.86 = 0.68
8.60 0.74

2
2. . [102] [01 2 ]

Last direction is [ 2 1 1]

3. Planar packing fraction: Gold has an FCC structure so the (101) intersects 4
quarter circles at the corners and two half circles on the faces, which are the
projections on the plane of the atoms it intersects.
The atomic radius of gold (r) = 144 pm
a = 2√2r = 4.07 * 10-10 m
Planar packing fraction is thus: 2πr2 = 0.28
a2√2

Planar density: the 4 quarter circles and two half circles sum up to two atoms
(because the projection of a full atom on a plane is a circle).
a in cm = 4.07 * 10-8 cm
Planar density is thus: 2 = 8.54 * 1014 atoms/cm2
a2√2

Linear density: on the [011] direction is on a face of the cube and it contains 2
quarter atoms and 1 half atom. The distance between nearest atoms is 4r, four
times the atomic radius of gold
r in cm = 1.44 * 10-8 cm
Linear density is thus: 2/(4r) = 3.47 * 107 atoms/cm

3
4. (122) (210)

Last plane is ( 2 03)

5. a. A characteristic x-ray spectrum of Cr will show λSWL, Kα, Kβ and the continuous
spectrum of Bremsstrahlung. We may quantify λKα and λSWL.

24Cr: VKα = 3 * R (Z – 1)2 = 3 * (1.097 * 107)* 232

4 4
9 -1
= 4.35 * 10 m
λKα = 2.3 * 10-10 m
λSWL = hc = 1.24 * 10-6 m = 1.24 * 10-6 m
eV V 6 * 104
-11
= 2.07 * 10 m
b.

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6. a. λSWL = 12,400/v = 12,400 / (66 * 103) = 0.188 Å

b. see sketch above in answer to problem 7. Lα and Lβ will appear to the right of the
analogous K line (at higher values of λ), the Lα to the right of the Lβ. Energy of the
x-rays increases as you move left on the x-axis.

c. - incident electrons are deflected by the negative charge of the electrons of the
target.
- change in the velocity (speed or direction of both) is an acceleration.
- accelerating charge emits radiation.
- extent of acceleration is NOT QUANTIZED, so different amounts of energy are
lost by each electron.
- spectrum is continuous.

7. The function that relates x-ray intensity to thickness of penetrating material is

I = I0e-μx. I0 is incident intensity of the x-ray and I is transmitted intensity of the x-
ray. The thickness of the lead is 1mm (0.1cm). The value of μ is the mass
absorption of the material divided by the density of the material. To get this, you
need the density of lead.

Density of lead is: 11.34 g/cm3

Cu: μ = (232.1 cm2/g) * (11.34 g/cm3) = 2632 cm-1
Mo: μ = (122.8 cm2/g) * (11.34 g/cm3) = 1393 cm-1

Cu Mo
Itrans/Iincident = exp(-2632 cm-1* 0.1cm) Itrans/Iincident = exp(-1393 cm-1 * 0.1 cm)
≈0 = 3.18 * 10-61