CHBI 443/543 Materials Science for CHBI Crystal Structures Worksheet 2

Question 1:
The unit cell for tin (Sn) has tetragonal symmetry, with a and b lattice parameters of 0.583 and
0.318 nm, respectively. If its density, atomic weight, and atomic radius are 7.30 g/cm3, 118.69
g/mol, and 0.151 nm, respectively, compute the atomic packing factor.

Solution
In order to determine the APF for Sn, we need to compute both the unit cell volume

(VC) which is just the a2c product, as well as the total sphere volume (VS) which is just the

product of the volume of a single sphere and the number of spheres in the unit cell

(n). The value of n may be calculated from a rearranged formed of Equation 3.9 as

= 4.00 atoms/unit cell

Therefore

= 0.534
Question 2: 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 = 0.30 nm, c = 0.40 nm, and  =  =  = 90 (Table 3.7).
(b) The crystal structure would be called body-centered tetragonal.
(c) As with BCC, n = 2 atoms/unit cell. Also, for this unit cell

Thus, using Equation 3.9, the density is equal to

= 13.0 g/cm3
Question 3: List the point indices for all atoms that are associated with the BCC and FCC
unit cell
Solution

A BCC unit cell

The BCC unit cell has eight atoms at the eight corners of the cube whose coordinates are (0,
0, 0), (1, 1, 1), (1, 0, 0), (0, 1, 0), (1, 1, 0), (1, 0, 1), (0, 1, 1), (0, 0, 1) and one atom at the
cube body center having coordinates (1/2, ½, ½).

An FCC unit cell

The FCC unit cell has eight atoms at the eight corners of the cube whose coordinates are (0,
0, 0), (1, 0, 0), (0, 1, 0), (1, 1, 0), (0, 0, 1), (1, 0, 1), (0, 1, 1), (1, 1, 1) and six atoms at the
face centered having coordinates (1/2, ½, 0), (1/2, 0, 1/2), (1, ½, ½), (1/2, ½, 1), (1/2, 1, ½),
(0, ½, ½).
Question 4: What are the indices for the directions indicated by the two vectors in the sketch
below?

This direction may be plotted using the procedure outlined in Example Problem 3.11
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 indices for his
direction may be determined using the procedure outlined in Example Problem 3.10.
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 = 0a
y2 = b/2
z2 = c
To determine the directional indices, we employ Equations 3.12a, 3.12b, and 3.12c. Because
there is a 2 in the denominator for y2 we will assume n = 2. Hence
Therefore, Direction 1 is a [012] 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 = b/2

z2 = −c

We again choose a value of 2 for n because of the 2 in the denominator of the x2 and
y2coordinates. Therefore,

Therefore, Direction 2 is a direction.

Question 5: Determine the indices for the directions shown in the following cubic unit cells:
For Direction A
 We determine the indices of this direction vector using Equations 3.12a-3.12c—that is,
by subtracting vector tail coordinates from head coordinates. Tail coordinates are as follows:

x1 = 0a y1 = b z1 = c

Whereas head coordinates are as follows:

x2 = 0a y2 = 0b z2 = 0c

From Equations 3.12a, 3.12b, and 3.12c assuming a value of 1 for the parameter n

Therefore, Direction A is .
 For Direction B

We determine the indices of this direction vector using Equations 3.12a-3.12c—that is,
by subtracting vector tail coordinates from head coordinates. Tail coordinates are as follows:

x1 = a y1 = b/2 z1 = c

Whereas head coordinates are as follows:

x2 = 0a y2 = b z2 = c

From Equations 3.12a, 3.12b, and 3.12c assuming a value of 2 for the parameter n

Therefore, Direction B is .
 For Direction C

We determine the indices of this direction vector using Equations 3.12a-3.12c—that is,
by subtracting vector tail coordinates from head coordinates. Tail coordinates are as follows:

x1 = a/2 y1 = b/2 z1 = 0c

Whereas head coordinates are as follows:

x2 = a y2 = b z2 = c

From Equations 3.12a, 3.12b, and 3.12c assuming a value of 2 for the parameter n

Therefore, Direction C is .
 For Direction D

We determine the indices of this direction vector using Equations 3.12a-3.12c—that is,
by subtracting vector tail coordinates from head coordinates. Tail coordinates are as follows:

x1 = a/2 y1 = 0b z1 = c

Whereas head coordinates are as follows:

x2 = a y2 = b/2 z2 = 0c

From Equations 3.12a, 3.12b, and 3.12c assuming a value of 2 for the parameter n

Therefore, Direction D is .
Question 6: What are the indices for the two planes drawn in the sketch below?

Solution
In order to solve for the h, k, and l indices for these two crystallographic planes it is
necessary to use Equations 3.15a, 3.15b, and 3.15c.
Plane 1, is parallel to both the the x and z axes and intercepts the y axis b/2 (0.2 nm)—
that is
A = a B = b/2 C = c
Thus, from Equations 3.15a through 3.15c (assuming n = 1) we have the following:

Therefore, Plane 1 is a (020) plane.

Plane 2 the intercepts the x, y, and z axes at a/2 (0.2 nm), −b/2 (−0.2 nm), and c (0.2
nm)—that is
A = a/2 B = −b/2 C=c

And when we incorporate these values into Equations 3.15a, 3.15b, and 3.15c, computations
of the h, k, and l indices are as follows (assuming that n = 1):
Therefore, Plane 2 is a plane.

Question 7:

(a) Draw the FCC [100], [110] and [111] directions in a unit cell and derive the linear density
expressions in terms of the atomic radius R.
(b) Compute and compare linear density values for these same two directions for nickel (Ni).

Solution

(a) In FCC unit cell,

√2𝑎 = 4𝑅

[111]

[110]
Therefore,

4
𝑎= 𝑅
√2

Therefore,

In the [100] direction the number of atoms is (R + R = 1 atom) 1 atom.

1 1 1
Linear Density in the [100] Direction = = =
𝑎 4𝑅 2√2𝑅
√2

In the [110] direction the number of atoms is (R + R + 2R = 2 atoms) 2 atoms.

2 √2 1
Linear Density in the [110] Direction = = =
√2𝑎 4𝑅 2𝑅
√2

In the [110] direction the number of atoms is (R + R = 1 atom) 1 atom.

1 1 1
Linear Density in the [111] Direction = = =
√3𝑎 4𝑅 2√6𝑅
√3 𝑥
√2

(b) The atomic radius of nickel (Ni) = 0.163 nm

1 1
Linear Density in the [100] Direction = = = 2.169 𝑛𝑚−1
2√2𝑅 2√2 × 0.163

1 1
Linear Density in the [110] Direction = = = 3.067 𝑛𝑚−1
2𝑅 2 × 0.163
 1 1
Linear Density in the [111] Direction = = = 1.252 𝑛𝑚−1
2√6𝑅 2√6 × 0.163

Question 8:
(a) Derive planar density expressions for FCC (100) and (111) planes in terms of the atomic
radius R.
(b) Compute and compare planar density values for these same two planes for nickel.

Solution
(a) In the figure below is shown a (100) plane for an FCC unit cell.

For this (100) plane there is one atom at each of the four cube corners, each of which is shared
with four adjacent unit cells, while the center atom lies entirely within the unit cell. Thus, there
is the equivalence of 2 atoms associated with this FCC (100) plane. The planar section
represented in the above figure is a square, wherein the side lengths are equal to the unit cell

edge length, (Equation 3.1); and, thus, the area of this square is just = 8R2.
Hence, the planar density for this (100) plane is just

That portion of an FCC (111) plane contained within a unit cell is shown below.
There are six atoms whose centers lie on this plane, which are labeled A through F. One-sixth
of each of atoms A, D, and F are associated with this plane (yielding an equivalence of one-
half atom), with one-half of each of atoms B, C, and E (or an equivalence of one and one-half
atoms) for a total equivalence of two atoms. Now, the area of the triangle shown in the above
figure is equal to one-half of the product of the base length and the height, h. If we consider
half of the triangle, then

which leads to h = . Thus, the area is equal to

And, thus, the planar density is

(b) From the table inside the front cover, the atomic radius for nickel is 0.125 nm.
Therefore, the planar density for the (100) plane is
While for the (111) plane