CHAPTER 3

THE STRUCTURE OF CRYSTALLINE SOLIDS

3.7 Molybdenum (Mo) has a BCC crystal structure, an atomic radius of 0.1363 nm, and an atomic weight
of 95.94 g/mol. Compute and compare its theoretical density with the experimental value found inside the front
cover of the book.

Solution

This problem calls for a computation of the density of molybdenum. According to Equation 3.8

nAMo
r=
VC NA

4R
a=
For BCC, n = 2 atoms/unit cell. Furthermore, because VC = a3, and 3 (Equation 3.4), then

3
æ 4 Rö
VC = ç
è 3 ÷ø

Thus, realizing that AMo = 95.94 g/mol, using the above version of Equation 3.8, we compute the theoretical density

for Mo as follows:

nAMo
r=
3
æ 4 Rö
çè ÷ NA
3ø

(2 atoms/unit cell)(95.94 g/mol)

=
3
é(4) (0.1363 ´ 10-7 cm)3 / 3 ù / (unit cell) (6.022 ´ 1023 atoms/mol)
ë û

= 10.22 g/cm3

The value given inside the front cover is 10.22 g/cm3.

 3.23 The accompanying figure shows a unit cell for a hypothetical metal.
(a) To which crystal system does this unit cell belong?
(b) What would this crystal structure be called?
(c) Calculate the density of the material, given that its atomic weight is 141 g/mol.

Solution

(a) The unit cell shown in the problem statement belongs to the tetragonal crystal system since a = b = 0.35
nm, c = 0.45 nm, and  =  =  = 90.
(b) The crystal structure would be called body-centered tetragonal.
(c) As with BCC, n = 2 atoms/unit cell. Also, for this unit cell

−8 2 −8
V C = (3.5 × 10 cm ) (4.5 × 10 cm)
−23 3
=5.51× 10 cm /unit cell

Thus, using Equation 3.8, the density is equal to

nA
ρ=
VCNA

(2 atoms/unit cell )(141 g/mol)

=
( 5. 51 × 10 cm3 /unit cell )( 6. 022 × 10 23 atoms/mol )
−23

= 8.49 g/cm3
 3.33 What are the indices for the directions indicated by the two vectors in the following sketch?

Solution

We are asked for the indices of the two directions sketched in the figure. Unit cell edge lengths are a = 0.4
nm, b = 0.5 nm, and c = 0.3 nm. In solving this problem we will use the symbols a, b, and c rather than the
magnitudes of these parameters
The tail of the Direction 1 vector passes through the origin, therefore, its tail coordinates are
x1 =0a
y1 =0b
z1 =0c

And the vector head coordinates are as follows:

x2 = a
y2 = -b/2
z2 = -c

To determine the directional indices we employ Equations 3.10a, 3.10b, and 3.10c. Because there is a 2 in the
denominator for y2 we will assume n = 2. Hence

æx -xö æ a- 0aö
u = nç 2 1 ÷ = (2) ç =2
è a ø è a ÷ø
 æy -yö æ -b/2 - 0bö
v= nç 2 1 ÷ = (2) ç ÷ø = -1
è b ø è b

æz -z ö æ -c - 0cö
w= nç 2 1 ÷ = (2) ç = -2
è c ø è c ÷ø

Therefore, Direction 1 is a [2 12] direction.

We use the same procedure to determine the indices for Direction 2. Again, because the vector tail passes
through the origin of the coordinate system, the values of x1, y1, and z1 are the same as for Direction 1.

Furthermore, vector head coordinates are as follows:

x2 = a/2
y2 = 0b
z2 = c
We again choose a value of 2 for n because of the 2 in the denominator of the x2 coordinate. Therefore,

æx -xö æ a/2 - 0aö

u= nç 2 1 ÷ = (2) ç =1
è a ø è a ÷ø

æy -yö æ 0b - 0bö
v= nç 2 1 ÷ = (2) ç =0
è b ø è b ÷ø

æz -zö æ c - 0cö
w= nç 2 1 ÷ = (2) ç =2
è c ø è c ÷ø

Therefore, Direction 2 is a [102] direction.

 3.45 What are the indices for the two planes drawn in the following sketch?

Solution

In order to solve for the h, k, and l indices for these two crystallographic planes it is necessary to use
Equations 3.14a, 3.14b, and 3.14c.
For Plane 1, the intercepts with the x, y, and z axes are a/2 (0.2 nm), b (0.4 nm), and c (0.2 nm)—that is
A = a/2 B=b C=c
Thus, from Equations 3.14a-3.14c (assuming n = 1) we have the following:

na (1 )a
h= = =2
A a /2

nb (1)b
k= = =1
B b

nc (1)c
l= = =1
C c

Therefore, Plane 1 is a (211) plane.

Plane 2 is parallel to both the x and z axes, which means that the respective intercepts are a and c. The
intercept with the y axis is at -b/2 (0.2 nm). Thus, values of the intercepts are as follows:
A = a B = -b/2 C = c
And when we incorporate these values into Equations 3.14a, 3.14b, and 3.14c, computations of the h, k, and l
indices are as follows (assuming that n = 1):
 na (1)a
h= = =0
A a

nb (1)b
k= = = -2
B -b/2

nc (1)c
l= = =0
C ∞c

Therefore, Plane 2 is a (0 2̄0) plane, which is also parallel to a (0 1̄0) plane.

 3.3FE What are the Miller indices for the plane shown in the following cubic unit cell?

(10 12 )
(A) (201) (C)

(B)
( 1∞ )
1
2
(D) (102)

Solution

The Miller indices for this direction may be determined using Equations 3.14a, 3.14b, and 3.14c. However,
it is first necessary to note intersections of this plane with the x, y, and z coordinate axes. These respective intercepts
are a, a (since the plane is parallel to the y axis), and a/2; that is
A=a B = a C = a/2

Thus, using Equations 3.14, values of the h, k, and l indices (assuming that n = 1)are as follows:

na (1 )a
h= = =1
A a

na (1)a
k= = =0
B ∞a

nc (1)c
l= = =2
C c/ 2

Therefore this is a (102) plane, which means that D is the correct answer.