3

16 The Science and Engineering of Materials Instructor’s Solution Manual

Solution: (a) Using Equation 3–5:

(2 atoms/cell)(39.09 g/mol)
0.855 g/cm3 =
(ao)3(6.02 × 1023 atoms/mol)
ao3 = 1.5189 × 10−22 cm3 or ao = 5.3355 × 10−8 cm

(b) From the relationship between atomic radius and lattice parameter:

( 3 )(5.3355 × 10 −8 cm
) = 2.3103 × 10
Atomic and Ionic Arrangements
r = −8 cm
4

3–28 The density of thorium, which has the FCC structure and one atom per lattice point,
is 11.72 g/cm3. The atomic weight of thorium is 232 g/mol. Calculate (a) the lattice
parameter and (b) the atomic radius of thorium.
Solution: (a) From Equation 3–5:
(4 atoms/cell)(232 g/mol)
11.72 g/cm3 =
(ao)3(6.02 × 1023 atoms/mol)
ao3 = 1.315297 × 10−22 cm3 or ao = 5.0856 × 10−8 cm

(b) From the relationship between atomic radius and lattice parameter:

3–25 Calculate the atomic radius in cm for the following: (a) BCC metal with r =
( 2 )(5.0856 × 10 −8 cm
) = 1.7980 × 10 −8 cm
ao = 0.3294 nm and one atom per lattice point; and (b) FCC metal with 4
ao = 4.0862 Å and one atom per lattice point.
Solution: (a) For BCC metals, 3–29 A metal having a cubic structure has a density of 2.6 g/cm3, an atomic weight of
87.62 g/mol, and a lattice parameter of 6.0849 Å. One atom is associated with each
r =
( 3 )ao = ( 3 )(0.3294 nm) = 0.1426 nm = 1.426 × 10 −8 cm lattice point. Determine the crystal structure of the metal.
4 4
(x atoms/cell)(87.62 g/mol)
Solution: 2.6 g/cm3 =
(b) For FCC metals, (6.0849 × 10−8 cm)3(6.02 × 1023 atoms/mol)

r =
( 2 )ao = ( 2 )(4.0862 Å) = 1.4447 Å = 1.4447 × 10 −8 cm x = 4, therefore FCC
4 4
3–30 A metal having a cubic structure has a density of 1.892 g/cm3, an atomic weight of
132.91 g/mol, and a lattice parameter of 6.13 Å. One atom is associated with each
3–26 Determine the crystal structure for the following: (a) a metal with ao = 4.9489 Å,
lattice point. Determine the crystal structure of the metal.
r = 1.75 Å and one atom per lattice point; and (b) a metal with ao = 0.42906 nm,
r = 0.1858 nm and one atom per lattice point. (x atoms/cell)(132.91 g/mol)
Solution: 1.892 g/cm3 =
Solution: We want to determine if “x” in the calculations below equals 2 (6.13 × 10−8 cm)3(6.02 × 1023 atoms/mol)
(for FCC) or 3 (for BCC): x = 2, therefore BCC
(a) (x)(4.9489 Å) = (4)(1.75 Å)
3–31 Indium has a tetragonal structure with ao = 0.32517 nm and co = 0.49459 nm. The
x= 2 , therefore FCC
density is 7.286 g/cm3 and the atomic weight is 114.82 g/mol. Does indium have
(b) (x)(0.42906 nm) = (4)(0.1858 nm) the simple tetragonal or body-centered tetragonal structure?

x= 3 , therefore BCC Solution:

(x atoms/cell)(114.82 g/mol)
7.286 g/cm3 =
3–27 The density of potassium, which has the BCC structure and one atom per lattice (3.2517 × 10−8 cm)2(4.9459 × 10−8 cm)(6.02 × 1023 atoms/mol)
point, is 0.855 g/cm3. The atomic weight of potassium is 39.09 g/mol. Calculate x = 2, therefore BCT (body-centered tetragonal)
(a) the lattice parameter; and (b) the atomic radius of potassium.

15
 CHAPTER 3 Atomic and Ionic Arrangements 17 18 The Science and Engineering of Materials Instructor’s Solution Manual

3–32 Bismuth has a hexagonal structure, with ao = 0.4546 nm and co = 1.186 nm. 3–39 Above 882oC, titanium has a BCC crystal structure, with a = 0.332 nm. Below this
The density is 9.808 g/cm3 and the atomic weight is 208.98 g/mol. Determine temperature, titanium has a HCP structure, with a = 0.2978 nm and c = 0.4735 nm.
(a) the volume of the unit cell and (b) how many atoms are in each unit cell. Determine the percent volume change when BCC titanium transforms to HCP titanium.
Is this a contraction or expansion?
Solution: (a) The volume of the unit cell is V = ao2cocos30.
V = (0.4546 nm)2(1.186 nm)(cos30) = 0.21226 nm3 Solution: We can find the volume of each unit cell. Two atoms are present in both
= 2.1226 × 10−22 cm3 BCC and HCP titanium unit cells, so the volumes of the unit cells can be
directly compared.
(b) If “x” is the number of atoms per unit cell, then:
VBCC = (0.332 nm)3 = 0.03659 nm3
(x atoms/cell)(208.98 g/mol)
9.808 g/cm3 =
(2.1226 × 10−22 cm3)(6.02 × 1023 atoms/mol) VHCP = (0.2978 nm)2(0.4735 nm)cos30 = 0.03637 nm3
VHCP − VBCC 0.03637 nm3 − 0.03659 nm3
x = 6 atoms/cell ΔV = × 100 = × 100 = −0.6%
VBCC 0.03659 nm3
3–33 Gallium has an orthorhombic structure, with ao = 0.45258 nm, bo = 0.45186 nm,
Therefore titanium contracts 0.6% during cooling.
and co = 0.76570 nm. The atomic radius is 0.1218 nm. The density is 5.904 g/cm3
and the atomic weight is 69.72 g/mol. Determine (a) the number of atoms in each
3–40 α-Mn has a cubic structure with ao = 0.8931 nm and a density of 7.47 g/cm3. β-Mn
unit cell and (b) the packing factor in the unit cell.
has a different cubic structure, with ao = 0.6326 nm and a density of 7.26 g/cm3.
Solution: The volume of the unit cell is V = aoboco or The atomic weight of manganese is 54.938 g/mol and the atomic radius is 0.112 nm.
Determine the percent volume change that would occur if α-Mn transforms to β-Mn.
V = (0.45258 nm)(0.45186 nm)(0.76570 nm) = 0.1566 nm3
= 1.566 × 10−22 cm3 Solution: First we need to find the number of atoms in each unit cell so we can
determine the volume change based on equal numbers of atoms. From
(a) From the density equation: the density equation, we find for the α-Mn:
(x atoms/cell)(69.72 g/mol) (x atoms/cell)(54.938 g/mol)
5.904 g/cm3 = 7.47 g/cm3 =
(1.566 × 10−22 cm3)(6.02 × 1023 atoms/mol) (8.931 × 10−8 cm)3(6.02 × 1023 atoms/mol)

x = 8 atoms/cell x = 58 atoms/cell Vα-Mn = (8.931 × 10−8 cm)3 = 7.12 × 10−22 cm3

(b) From the packing factor (PF) equation: For β-Mn:

(8 atoms/cell)(4π/3)(0.1218 nm)3 (x atoms/cell)(54.938 g/mol)
PF = = 0.387 7.26 g/cm3 =
0.1566 nm3 (6.326 × 10−8 cm)3(6.02 × 1023 atoms/mol)

3–34 Beryllium has a hexagonal crystal structure, with ao = 0.22858 nm and x = 20 atoms/cell Vβ-Mn = (6.326 × 10−8 cm)3 = 2.53 × 10−22 cm3
co = 0.35842 nm. The atomic radius is 0.1143 nm, the density is 1.848 g/cm3,
The volume of the β-Mn can be adjusted by a factor of 58/20, to account
and the atomic weight is 9.01 g/mol. Determine (a) the number of atoms in each
for the different number of atoms per cell. The volume change is then:
unit cell and (b) the packing factor in the unit cell.
(58/20)Vβ-Mn − Vα-Mn (58/20)(2.53) − 7.12
Solution: V = (0.22858 nm)2(0.35842 nm)cos 30 = 0.01622 nm3 = 16.22 × 10−24 cm3 ΔV = × 100 = × 100 = + 3.05%
Vα-Mn 7.12
(a) From the density equation:
The manganese expands by 3.05% during the transformation.
(x atoms/cell)(9.01 g/mol)
1.848 g/cm3 =
(16.22 × 10−24 cm3)(6.02 × 1023 atoms/mol) 3–35 A typical paper clip weighs 0.59 g and consists of BCC iron. Calculate (a) the num-
ber of unit cells and (b) the number of iron atoms in the paper clip. (See Appendix A
x = 2 atoms/cell for required data)
(b) The packing factor (PF) is: Solution: The lattice parameter for BCC iron is 2.866 × 10−8 cm. Therefore
(2 atoms/cell)(4π/3)(0.1143 nm)3 Vunit cell = (2.866 × 10−8 cm)3 = 2.354 × 10−23 cm3
PF = = 0.77
0.01622 nm3
(a) The density is 7.87 g/cm3. The number of unit cells is:
0.59 g
number = = 3.185 × 1021 cells
(7.87 g/cm3)(2.354 × 10−23 cm3/cell)
 CHAPTER 3 Atomic and Ionic Arrangements 19 20 The Science and Engineering of Materials Instructor’s Solution Manual

(b) There are 2 atoms/cell in BCC iron. The number of atoms is: C: x = 1 1/x = 1
y = ∞ 1/y = 0 –
(102) (origin at 0,0,1)
number = (3.185 × 1021 cells)(2 atoms/cell) = 6.37 × 1021 atoms z = −1⁄2 1/z = −2

3–36 Aluminum foil used to package food is approximately 0.001 inch thick. Assume that 3–54 Determine the indices for the planes in the cubic unit cell shown in Figure 3–51.
all of the unit cells of the aluminum are arranged so that ao is perpendicular to the
foil surface. For a 4 in. × 4 in. square of the foil, determine (a) the total number of Solution: A: x = −1 1/x = −1 × 3 = −3
–64)
unit cells in the foil and (b) the thickness of the foil in number of unit cells. (See y = 1⁄2 1/y = 2 × 3 = 6 (3 (origin at 1,0,0)
Appendix A) z = 3⁄4 1/z = 4⁄3 × 3 = 4

Solution: The lattice parameter for aluminum is 4.04958 × 10−8 cm. Therefore: B: x = 1 1/x = 1 × 3 = 3
–0)
y = −3⁄4 1/y = −4⁄3 × 3 = −4 (34 (origin at 0,1,0)
Vunit cell = (4.04958 × 10−8)3 = 6.6409 × 10−23 cm3 z= ∞ 1/z = 0 × 3 = 0
The volume of the foil is: C: x = 2 1/x = 1⁄2 × 6 = 3
y = 3⁄2 1/y = 2⁄3 × 6 = 4 (346)
Vfoil = (4 in.)(4 in.)(0.001 in.) = 0.016 in.3 = 0.262 cm3
z=1 1/z = 1 × 6 = 6
(a) The number of unit cells in the foil is:
3–55 Determine the indices for the directions in the hexagonal lattice shown in
0.262 cm3 Figure 3–52, using both the three-digit and four-digit systems.
number = = 3.945 × 1021 cells
6.6409 × 10−23 cm3/cell –
Solution: A: 1,−1,0 − 0,0,0 = 1,−1,0 = [110]
(b) The thickness of the foil, in number of unit cells, is: h = 1⁄3(2 + 1) = 1
–
(0.001 in.)(2.54 cm/in.) k = 1⁄3(−2 − 1) = −1 = [1100]
number = = 6.27 × 104 cells
4.04958 × 10−8 cm i = −1⁄3(1 − 1) = 0
l =0
3–51 Determine the Miller indices for the directions in the cubic unit cell shown in –
B: 1,1,0 − 0,0,1 = 1,1,−1 = [111]
Figure 3–48. 1 1
h = ⁄3(2 − 1) = ⁄3
–
= [112– 3]
Solution: A: 0,1,0 − 0,1,1 = 0,0,−1 = [001] –
k = 1⁄3(2 − 1) = 1⁄3
B: 1⁄2,0,0 − 0,1,0 = 1⁄2,−1,0 –
= [120] i = −1⁄3(1 + 1) = −2⁄3
– l = −1
C: 0,1,1 − 1,0,0 = −1,1,1 = [111]
C: 0,1,1 − 0,0,0 = 0,1,1 = [011]
D: 1,0, ⁄2 − 0, ⁄2,1 = 1,− ⁄2,− ⁄2 = [21–1]
1 1 1 1 –
h = 1⁄3(0 − 1) = −1⁄3
k = 1⁄3(2 − 0) = 2⁄3
3–52 Determine the indices for the directions in the cubic unit cell shown in Figure 3–49. –21
–3]
i = −1⁄3(0 + 1) = −1⁄3 = [1
Solution: A: 0,0,1 − 1,0,0 = −1,0,1 = [101]–
l =1

B: 1,0,1 − 1⁄2,1,0 = 1⁄2,−1,1 –

= [122] 3–56 Determine the indices for the directions in the hexagonal lattice shown in
Figure 3–53, using both the three-digit and four-digit systems.
C: 1,0,0 − 0, ⁄4,1 = 1,− ⁄4,−1 = [43–4]
3 3 –
–
Solution: A: 0,1,1 − 1⁄2,1,0 = −1⁄2,0,1 = [ 102]
D: 0,1,1⁄2 − 0,0,0 = 0,1,1⁄2 = [021] h = 1⁄3(−2 − 0) = −2⁄3
–
k = 1⁄3(0 + 1) = 1⁄3 = [2116]
3–53 Determine the indices for the planes in the cubic unit cell shown in Figure 3–50. i = −1⁄3(−1 + 0) = 1⁄3
Solution: A: x = 1 1/x = 1 l =2
–
y = −1 1/y = −1 (111)
B: 1,0,0 − 1,1,1 = 0,−1,−1 = [01– 1]
–
z = 1 1/z = 1
h = 1⁄3(0 + 1) = 1⁄3
B: x = ∞ 1/x = 0 – 3]
–
k = 1⁄3(−2 + 0) = −2⁄3 = [121
y = 1⁄3 1/y = 3 (030)
i = −1⁄3(0 − 1) = 1⁄3
z =∞ 1/z = 0
l = −1
 CHAPTER 3 Atomic and Ionic Arrangements 21 22 The Science and Engineering of Materials Instructor’s Solution Manual

–01
–]
C: 0,0,0 − 1,0,1 = −1,0,−1 = [1
z
h = 1⁄3(−2 + 0) = −2⁄3
= [2– 113]
1 1 –
k = ⁄3(0 + 1) = ⁄3
i = −1⁄3(−1 + 0) = 1
⁄3 a b c d
l = −1 1
3
y
1
3–57 Determine the indices for the planes in the hexagonal lattice shown in Figure 3-54. x 2

Solution: A: a1 = 1 1/a1 = 1
– 1/3
a2 = −1 1/a2 = −1 (1101) (origin at a2 = 1)
2/3
a3 = ∞ 1/a3 = 0 g
c = 1 1/c = 1 1 e f h 1
2 2

B: a1 = ∞ 1/a1 = 0
a2 = ∞ 1/a2 = 0 (0003)
a3 = ∞ 1/a3 = 0
c = 2⁄3 1/c = 3⁄2 1/3
1
C: a1 = 1 1/a1 = 1 3
– i
a2 = −1 1/a2 = −1 (1100) 1
2 j k l
1 1
a3 = ∞ 1/a3 = 0 2 2

c = ∞ 1/c = 0 1
2

3–58 Determine the indices for the planes in the hexagonal lattice shown in Figure 3–55.
Solution: A: a1 = 1 1/a1 = 1
–
a2 = −1 1/a2 = −1 (1102) 3–60 Sketch the following planes and directions within a cubic unit cell.
–
(b) [2– 21]
a3 = ∞ 1/a3 = 0 – – –3–21] (f) [111]
–
Solution: (a) [110] (c) [410] (d) [012] (e) [3
c = 1⁄2 1/c = 2 – (h) (011) – –21) (k) (113) – –
(g) (111) (i) (030) (j) (1 (l) (041)
B: a1 = ∞ 1/a1 = 0
– z
a2 = 1 1/a2 = 1 (0111) 1/2

a3 = −1 1/a3 = −1
c = 1 1/c = 1 a 1 b c d
2

C: a1 = −1 1/a1 = −1 y
a2 = 1⁄2 1/a2 = 2 – 10)
(12–
x 1/4
a3 = −1 1/a3 = −1
c = ∞ 1/c = 0

3–59 Sketch the following planes and directions within a cubic unit cell.
– – – – e f h
Solution: (a) [101] (b) [010] (c) [122] (d) [301] (e) [ 201] (f) [213] 1/2 g
(g) (01– 1)
– (h) (102) (i) (002) (j) (1 30)
– –
(l) (31– 2)
–
(k) (212)
1/2

1/3

i
j k l
2/3

1/2 1/4
 CHAPTER 3 Atomic and Ionic Arrangements 23 24 The Science and Engineering of Materials Instructor’s Solution Manual

3–61 Sketch the following planes and directions within a hexagonal unit cell. 3–65 Determine the number of directions of the form <110> in a tetragonal unit cell and
– (b) [1120]
– – – – compare to the number of directions of the form <110> in an orthorhombic unit cell.
Solution: (a) [0110] (c) [1011] (d) (0003) (e) (1010) (f) (0111)
[110], [1–10],
– [110],
– – =4
c c (0001) c (1010) c (0111) Solution: Tetragonal: [110]
[110], [1–10]
– =2
Orthorhombic:
[1011]
Note that in cubic systems, there are 12 directions of the form <110>.
3–66 Determine the angle between the [110] direction and the (110) plane in a tetragonal
1
3 unit cell; then determine the angle between the [011] direction and the (011) plane
in a tetragonal cell. The lattice parameters are ao = 4 Å and co = 5 Å. What is
a2 a2 a2 a2
responsible for the difference?
[0110]
a1 a1 a1 a1
[1120] Solution: [110] ⊥ (110)

3–62 Sketch the following planes and directions within a hexagonal unit cell.
– – – –
(e) (1–122)
– –
Solution: (a) [2110] (b) [1121] (c) [1010] (d) (1210) (f) (1230) 5
c c (1210) c (1122) c (1230)
[1121]

4
4

2
a2 a2 a2 a2 θ
θ 5
1 θ 2
3
a1 [2110] [1010] a1 a1 a1 2.5

4
3–63 –
What are the indices of the six directions of the form <110> that lie in the (111)
plane of a cubic cell?
– tan(u/2) = 2.5 / 2 = 1.25
Solution: [110] [101] [011]
– – 1]
– u/2 = 51.34o
[110] [10 [01–1]
–
u = 102.68o
z
The lattice parameters in the x and y directions are the same; this allows the angle
between [110] and (110) to be 90o. But the lattice parameters in the y and z direc-
tions are different!
3–67 Determine the Miller indices of the plane that passes through three points having the
y
following coordinates.
Solution: (a) 0,0,1; 1,0,0; and 1⁄2,1⁄2,0
x
(b) 1⁄2,0,1; 1⁄2,0,0; and 0,1,0
(c) 1,0,0; 0,1,1⁄2; and 1,1⁄2,1⁄4
3–64 What are the indices of the four directions of the form <111> that lie in the (1–01) (d) 1,0,0; 0,0,1⁄4; and 1⁄2,1,0
plane of a cubic cell?
[1–1–1]
–
Solution: [111]
– – 1]
–
[111] [11
z

–
(a) (111) (b) (210) (c) (012) (d) (218)
y

x
 CHAPTER 3 Atomic and Ionic Arrangements 25 26 The Science and Engineering of Materials Instructor’s Solution Manual

3–68 Determine the repeat distance, linear density, and packing fraction for FCC nickel,
which has a lattice parameter of 0.35167 nm, in the [100], [110], and [111] direc-
tions. Which of these directions is close-packed?
Solution: r= ( 2 )(0.35167) / 4 = 0.1243 nm
For [100]: repeat distance = ao = 0.35167 nm
For [111]: repeat distance = 3 ao/2 = 0.3039 nm
linear density = 1/ao = 2.84 points/nm
linear density = 2/ 3 ao = 3.291 points/nm
linear packing fraction = (2)(0.1243)(2.84) = 0.707
linear packing fraction = (2)(0.1519)(3.291) = 1

For [110]: repeat distance = 2 ao/2 = 0.2487 nm

The [111] direction is close packed; the linear packing factor is 1.
linear density = 2 / 2 ao = 4.02 points/nm
linear packing fraction = (2)(0.1243)(4.02) = 1.0 3–70 Determine the repeat distance, linear density, and packing fraction for HCP magne-
sium in the [–2110] direction and the [11–20] direction. The lattice parameters for
HCP magnesium are given in Appendix A.
Solution: ao = 3.2087 Å r = 1.604 Å
For [–2110]:
repeat distance = ao = 3.2087 Å
For [111]: repeat distance = 3 ao = 0.6091 nm
linear density = 1/ao = 0.3116 points/nm
linear density = 1/ 3 ao = 1.642 points/nm
linear packing fraction = (2)(1.604)(0.3116) = 1
linear packing fraction = (2)(0.1243)(1.642) = 0.408 –0])
(Same for [112
a3

a2

Only the [110] is close packed; it has a linear packing fraction of 1. (2110)
a1 (1120)
3–69 Determine the repeat distance, linear density, and packing fraction for BCC lithium,
which has a lattice parameter of 0.35089 nm, in the [100], [110], and [111] direc-
tions. Which of these directions is close-packed? 3–71 Determine the planar density and packing fraction for FCC nickel in the (100),
(110), and (111) planes. Which, if any, of these planes is close-packed?
Solution: r= 3 (0.35089) / 4 = 0.1519 nm
Solution: ao = 3.5167 Å
For [100]: repeat distance = ao = 0.35089 nm
For (100):
linear density = 1/ao = 2.85 points/nm
2
linear packing fraction = (2)(0.1519)(2.85) = 0.866 planar density = = 0.1617 × 1016 points/cm2
(3.5167 × 10−8 cm)2
2πr 2
packing fraction = = 0.7854
2
( 4r/ 2 )
ao
For [110]: repeat distance = 2 ao = 0.496 nm
linear density = 1/ 2 ao = 2.015 points/nm
linear packing fraction = (2)(0.1519)(2.015) = 0.612
 CHAPTER 3 Atomic and Ionic Arrangements 27 28 The Science and Engineering of Materials Instructor’s Solution Manual

For (110): For (110):

2 points
planar density = planar density = 2 = 0.1149 × 1016 points/cm2
(3.5167 × 10−8 cm) ( 2 ) (3.5167 × 10
−8 cm)
(
2 3.5089 × 10 −8 cm )
2

= 0.1144 × 10−16 points/cm2

2
packing fraction = 2πr 2
2
= 0.555 packing fraction =
2π [ 3ao /4 ] = 0.833
(
2 4r/ 2 ) 2 ao2

ao
ao

2ao
2ao
For (111):
For (111):
There are only (3)(1⁄6) = 1⁄2 points in the plane, which has an area of 0.866ao2.
From the sketch, we can determine that the area of the (111) plane is 1
⁄2
( )(
2 ao / 2 )
3ao / 2 = 0.866 ao2 . There are (3)(1⁄2) + (3)(1⁄6) = 2 atoms in planar density =
0.866(3.5089 × 10−8 cm)2
= 0.0469 × 1016 points/cm2
this area.
2 points 2
planar density =
0.866(3.5167 × 10−8 cm)2 packing fraction =
11
⁄22 π [ 3ao /4 ] = 0.34
0.866 ao2
= 0.1867 × 1016 points/cm2
2 There is no close-packed plane in BCC structures.
packing fraction =
2π ( 2 ao / 4 ) = 0.907
0.866 ao2
A = 0.866 a2
The (111) is close packed.

3ao / 2

3–73 Suppose that FCC rhodium is produced as a 1 mm thick sheet, with the (111) plane
parallel to the surface of the sheet. How many (111) interplanar spacings d111 thick
is the sheet? See Appendix A for necessary data.
2ao / 2
ao 3.796 Å
Solution: d111 = = = 2.1916 Å
3–72 Determine the planar density and packing fraction for BCC lithium in the (100), 12 + 12 + 12 3
(110), and (111) planes. Which, if any, of these planes is close-packed?
(1 mm/10 mm/cm)
Solution: ao = 3.5089 Å thickness = = 4.563 × 106 d111 spacings
2.1916 × 10−8 cm
For (100):
1 3–74 In a FCC unit cell, how many d111 are present between the 0,0,0 point and the 1,1,1
planar density = = 0.0812 × 1016 points/cm2 point?
(3.5089 × 10−8 cm)2
2
Solution: The distance between the 0,0,0 and 1,1,1 points is 3 ao. The interplanar
packing fraction =
π [ 3ao /4 ] = 0.589
spacing is
ao2 d111 = ao / 12 + 12 + 12 = ao / 3
Therefore the number of interplanar spacings is
number of d111 spacings = 3 ao/(ao/ 3 ) = 3
ao
 CHAPTER 3 Atomic and Ionic Arrangements 29 30 The Science and Engineering of Materials Instructor’s Solution Manual

3–88 Would you expect NiO to have the cesium chloride, sodium chloride, or zinc blende
structure? Based on your answer, determine (a) the lattice parameter, (b) the density,
Point
1,1,1 and (c) the packing factor.
rNi+2
Solution: rNi+2 = 0.69 Å rO−2 = 1.32 Å = 0.52 CN = 6
Point rO−2
0, 0, 0
A coordination number of 8 is expected for the CsCl structure, and a
coordination number of 4 is expected for ZnS. But a coordination num-
3–79 Determine the minimum radius of an atom that will just fit into (a) the tetrahedral ber of 6 is consistent with the NaCl structure.
interstitial site in FCC nickel and (b) the octahedral interstitial site in BCC lithium.
(a) ao = 2(0.69) + 2(1.32) = 4.02 Å
Solution: (a) For the tetrahedral site in FCC nickel (ao = 3.5167 Å):
(4 of each ion/cell)(58.71 + 16 g/mol)
(b) r = = 7.64 g/cm3
rNi =
(
2 3.5167 Å ) = 1.243 Å (4.02 × 10−8 cm)3(6.02 × 1023 atoms/mol)
4 (4π/3)(4 ions/cell)[(0.69)3 + (1.32)3]
(c) PF = = 0.678
(4.02)3
r/rNi = 0.225 for a tetrahedral site. Therefore:
r = (1.243 Å)(0.225) = 0.2797 Å 3–89 Would you expect UO2 to have the sodium chloride, zinc blende, or fluorite struc-
ture? Based on your answer, determine (a) the lattice parameter, (b) the density, and
(b) For the octahedral site in BCC lithium (ao = 3.5089 Å):
(c) the packing factor.

rLi =
(
3 3.5089 ) = 1.519 Å Solution: rU+4 = 0.97 Å rO−2 = 1.32 Å
rU+4
= 0.97/1.32 = 0.735
4 rO−2
valence of U = +4, valence of O = −2
r/rLi = 0.414 for an octrahedral site. Therefore:
r = (1.519 Å)(0.414) = 0.629 Å The radius ratio predicts a coordination number of 8; however there
must be twice as many oxygen ions as uranium ions in order to balance
3–86 What is the radius of an atom that will just fit into the octahedral site in FCC copper the charge. The fluorite structure will satisfy these requirements, with:
without disturbing the lattice?
U = FCC position (4) O = tetrahedral position (8)
Solution: rCu = 1.278 Å
r/rCu = 0.414 for an octahedral site. Therefore: (a) 3 ao = 4ru + 4ro = 4(0.97 + 1.32) = 9.16 or ao = 5.2885 Å
r = (1.278 Å)(0.414) = 0.529 Å 4(238.03 g/mol) + 8(16 g/mol)
(b) r = = 12.13 g/cm3
(5.2885 × 10−8 cm)3 (6.02 × 1023 atoms/mol)
3–87 Using the ionic radii given in Appendix B, determine the coordination number
expected for the following compounds. (4π/3)[4(0.97)3 + 8(1.32)3]
(c) PF = = 0.624
Solution: (a) Y2O3 (b) UO2 (c) BaO (d) Si3N4 (5.2885)3

(e) GeO2 (f) MnO (g) MgS (h) KBr 3–90 Would you expect BeO to have the sodium chloride, zinc blende, or fluorite struc-
0.89 0.53 ture? Based on your answer, determine (a) the lattice parameter, (b) the density, and
(a) rY+3 /rO−2 = = 0.67 CN = 6 (e) rGe+4/rO−2 = = 0.40 CN = 4 (c) the packing factor.
1.32 1.32
0.97 0.80 Solution: rBe+2 = 0.35 Å rO−2 = 1.32 Å
(b) rU+4 /rO−2 = = 0.73 CN = 6 (f) rMn+2/rO−2 = = 0.61 CN = 6
1.32 1.32 rBe/rO = 0.265 CN = 4 ∴ Zinc Blende
1.32 0.66
(c) rO−2 /rBa+2 = = 0.99 CN = 8 (g) rMg+2/rS−2 = = 0.50 CN = 6 (a) 3 ao = 4rBe+2 + 4rO−2 = 4(0.35 + 1.32) = 6.68 or ao = 3.8567 Å
1.34 1.32
0.15 1.33 4(9.01 + 16 g/mol)
(d) rN−3/rSi+4 = = 0.36 CN = 4 (h) rK+1/rBy−1 = = 0.68 CN = 6 (b) r = = 2.897 g/cm3
0.42 1.96 (3.8567 × 10−8 cm)3 (6.02 × 1023 atoms/mol)
(4π/3)(4)[(0.35)3 + 8(1.32)3]
(c) PF = = 0.684
(3.8567)3
 CHAPTER 3 Atomic and Ionic Arrangements 31 32 The Science and Engineering of Materials Instructor’s Solution Manual

3–91 Would you expect CsBr to have the sodium chloride, zinc blende, fluorite, or cesium
chloride structure? Based on your answer, determine (a) the lattice parameter,
(b) the density, and (c) the packing factor.
ao
Solution: rCs+1 = 1.67 Å rBr−1 = 1.96 Å
rCs+1
= 0.852 CN = 8 ∴ CsCl
rBr−1 2ao

(a) 3 ao = 2rCs+1 + 2rBr−1 = 2(1.96 + 1.67) = 7.26 or ao = 4.1916 Å

3–93 MgO, which has the sodium chloride structure, has a lattice parameter of 0.396 nm.
79.909 + 132.905 g/mol Determine the planar density and the planar packing fraction for the (111) and (222)
(b) r = = 4.8 g/cm3
(4.1916 × 10−8 cm)3 (6.02 × 1023 atoms/mol) planes of MgO. What ions are present on each plane?
(4π/3)[(1.96)3 + (1.67)3] Solution: As described in the answer to Problem 3–71, the area of the (111) plane
(c) PF = = 0.693
(4.1916)3 is 0.866ao2.

3–92 Sketch the ion arrangement on the (110) plane of ZnS (with the zinc blende struc- ao = 2rMg+2 + 2rO−2 = 2(0.66 + 1.32) = 3.96 Å
ture) and compare this arrangement to that on the (110) plane of CaF2 (with the 2 Mg
flourite structure). Compare the planar packing fraction on the (110) planes for these (111): P.D. = = 0.1473 × 1016 points/cm2
(0.866)(3.96 × 10−8 cm)2
two materials.
2π(0.66)2
Solution: ZnS: (111): PPF = = 0.202
(0.866)(3.96)2
3 ao = 4rZn+2 + 4rS−2
(222): P.D. = 0.1473 × 1016 points/cm2
3 ao = 4(0.074 nm) + 4(0.184 nm)
2π(1.32)2
ao = 0.596 nm (111): PPF = = 0.806
(0.866)(3.96)2
2 2

PPF =
(2)(πr ) + (2)(πr ) = 2π (0.074) + 2π (0.184)
2
Zn S
2
= 0.492
( 2 a )a o o 2 (0.596 nm )
2

(222)

(111)

ao

2ao 3–100 Polypropylene forms an orthorhombic unit cell with lattice parameters of ao =
1.450 nm, bo = 0.569 nm, and co = 0.740 nm. The chemical formula for the propy-
lene molecule, from which the polymer is produced, is C3H6. The density of the
CaF2:
polymer is about 0.90 g/cm3. Determine the number of propylene molecules, the
3 ao = 4rCa+2 + 4rF−1 number of carbon atoms, and the number of hydrogen atoms in each unit cell.

3 ao = 4(0.099 nm) + 4(0.133 nm) Solution: MWPP = 3 C + 6 H = 3(12) + 6 = 42 g/mol

ao = 0.536 nm (x C3H6)(42 g/mol)

0.90 g/cm3 =
2 2 (14.5 cm)(5.69 cm)(7.40 cm)(10−24)(6.02 × 1023 molecules/mol)
PPF =
(2)(πr ) + (4)(πr ) = 2π (0.099) + 4π (0.133)
2
Ca
2
F
= 0.699 x = 8 C3H6 molecules or 24 C atoms and 48 H atoms
( 2 a )a o o 2 (0.536 nm )
2

3–101 The density of cristobalite is about 1.538 g/cm3, and it has a lattice parameter of
0.8037 nm. Calculate the number of SiO2 ions, the number of silicon ions, and the
number of oxygen ions in each unit cell.
(x SiO2)[28.08 + 2(16) g/mol]
Solution: 1.538 g/cm3 =
8.037 × 10−8 cm)3(6.02 × 1023 ions/mol)

x = 8 SiO2 or 8 Si+4 ions and 16 O−2 ions

 CHAPTER 3 Atomic and Ionic Arrangements 33 34 The Science and Engineering of Materials Instructor’s Solution Manual

3–105 A diffracted x-ray beam is observed from the (220) planes of iron at a 2u angle of 3–108 Figure 3–57 shows the results of an x-ray diffraction experiment in the form of the
99.1o when x-rays of 0.15418 nm wavelength are used. Calculate the lattice parame- intensity of the diffracted peak versus the 2u diffraction angle. If x-rays with a
ter of the iron. wavelength of 0.0717 nm are used, determine (a) the crystal structure of the metal,
(b) the indices of the planes that produce each of the peaks, and (c) the lattice
Solution: sin u = l/2d220 parameter of the metal.
2 2 2
sin(99.1/2) = 0.15418 2 + 2 + 0 Solution: The 2u values can be estimated from the figure:
2 ao Planar
0.15418 8 2u sin2u sin2u/0.047 indices d = l/2sinu ao = d h 2 + k 2 + l 2
ao = = 0.2865 nm 1 25.5 0.047 1 (111) 0.16100 0.2277
(
2sin 49.55 ) 2 36.5 0.095 2 (200) 0.11500 0.2300
3–106 A diffracted x-ray beam is observed from the (311) planes of aluminum at a 2u 3 44.5 0.143 3 (211) 0.09380 0.2299
angle of 78.3o when x-rays of 0.15418 nm wavelength are used. Calculate the lattice 4 51.5 0.189 4 (220) 0.08180 0.2313
parameter of the aluminum.
5 58.5 0.235 5 (310) 0.07330 0.2318
Solution: sin u = l/d311 6 64.5 0.285 6 (222) 0.06660 0.2307
0.15418 32 + 12 + 12 7 70.5 0.329 7 (321) 0.06195 0.2318
ao = = 0.40497 nm
(
2sin 78.3/2 ) 8 75.5 0.375 8 (400) 0.05800 0.2322
(a) The sequence 1,2,3,4,5,6,7,8 (which includes the “7”) means that the material is
3–107 Figure 3–56 shows the results of an x-ray diffraction experiment in the form of the BCC.
intensity of the diffracted peak versus the 2u diffraction angle. If x-rays with a
wavelength of 0.15418 nm are used, determine (a) the crystal structure of the metal, (c) The average ao = 0.2307 nm
(b) the indices of the planes that produce each of the peaks, and (c) the lattice
parameter of the metal.
Solution: The 2u values can be estimated from Figure 3–56:
Planar
2u sin2u sin2u/0.0077 indices d = l/2sinu ao = d h 2 + k 2 + l 2
1 17.5 0.023 3 (111) 0.5068 0.8778
2 20.5 0.032 4 (200) 0.4332 0.8664
3 28.5 0.061 8 (220) 0.3132 0.8859
4 33.5 0.083 11 (311) 0.2675 0.8872
5 35.5 0.093 12 (222) 0.2529 0.8761
6 41.5 0.123 16 (400) 0.2201 0.8804
7 45.5 0.146 19 (331) 0.2014 0.8779
8 46.5 0.156 20 (420) 0.1953 0.8734
The sin2u values must be divided by 0.077 (one third the first sin2u value) in order to
produce a possible sequence of numbers)
(a) The 3,4,8,11, . . . sequence means that the material is FCC
(c) The average ao = 0.8781 nm