# Solution Manual for Materials Science and Engineering: An Introduction, 10th Edition

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CHAPTER 3
THE STRUCTURE OF CRYSTALLINE SOLIDS
PROBLEM SOLUTIONS
Fundamental Concepts
3.1 What is the difference between atomic structure and crystal structure?
Solution
Atomic structure relates to the number of protons and neutrons in the nucleus of an atom, as well as the
number and probability distributions of the constituent electrons. On the other hand, crystal structure pertains to the
arrangement of atoms in the crystalline solid material.
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Unit Cells
Metallic Crystal Structures
3.2 If the atomic radius of aluminum is 0.143 nm, calculate the volume of its unit cell in cubic meters.
Solution
For this problem, we are asked to calculate the volume of a unit cell of aluminum. Aluminum has an FCC
crystal structure (Table 3.1). The FCC unit cell volume may be computed from Equation 3.6 as
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3.3 Show for the body-centered cubic crystal structure that the unit cell edge length a and the atomic
radius R are related through a =4R/
.
Solution
Consider the BCC unit cell shown below
Using the triangle NOP
And then for triangle NPQ,
But NQ = 4R, R being the atomic radius. Also, QP = a. Therefore,
or
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3.4 For the HCP crystal structure, show that the ideal c/a ratio is 1.633.
Solution
A sketch of one-third of an HCP unit cell is shown below.
Consider the tetrahedron labeled as JKLM, which is reconstructed as
The atom at point M is midway between the top and bottom faces of the unit cell–that is
= c/2. And, since
atoms at points J, K, and M, all touch one another,
where R is the atomic radius. Furthermore, from triangle JHM,
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or
Now, we can determine the
length by consideration of triangle JKL, which is an equilateral triangle,
and
Substituting this value for
in the above expression yields
and, solving for c/a
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3.5 Show that the atomic packing factor for BCC is 0.68.
Solution
The atomic packing factor is defined as the ratio of sphere volume to the total unit cell volume, or
Since there are two spheres associated with each unit cell for BCC
Also, the unit cell has cubic symmetry, that is VC = a3. But a depends on R according to Equation 3.4, and
Thus,
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3.6 Show that the atomic packing factor for HCP is 0.74.
Solution
The APF is just the total sphere volume-unit cell volume ratio. For HCP, there are the equivalent of six
spheres per unit cell, and thus
Now, the unit cell volume is just the product of the base area times the cell height, c. This base area is just three
times the area of the parallelepiped ACDE shown below.
The area of ACDE is just the length of
times the height
. But
is just a or 2R, and
Thus, the base area is just
and since c = 1.633a = 2R(1.633)
(3.S1)
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Thus,
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Density Computations
3.7 Iron has a BCC crystal structure, an atomic radius of 0.124 nm, and an atomic weight of 55.85 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 iron. According to Equation 3.8
For BCC, n = 2 atoms/unit cell, and
Thus,
= 7.90 g/cm3
The value given inside the front cover is 7.87 g/cm3.
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3.8 Niobium (Nb) has a BCC crystal structure, an atomic radius of 0.143 nm and an atomic weight of
92.91 g/mol. Calculate the theoretical density for Nb.
Solution
According to Equation 3.8
For BCC, n = 2 atoms/unit cell. Furthermore, because VC = a3, and
(Equation 3.4), then
Thus, realizing that ANb = 92.91 g/mol, using the above version of Equation 3.8, we compute the theoretical density
of Nb as follows:
= 8.48 g/cm3
The experimental density for Nb is 8.57 g/cm 3.
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3.9 Calculate the radius of an iridium atom, given that Ir has an FCC crystal structure, a density of 22.4
g/cm3, and an atomic weight of 192.2 g/mol.
Solution
We are asked to determine the radius of an iridium atom, given that Ir has an FCC crystal structure. For
FCC, n = 4 atoms/unit cell, and VC =
(Equation 3.6). Now,
And solving for R from the above expression yields
= 1.36 ๏ด 10-8 cm = 0.136 nm
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3.10 Calculate the radius of a vanadium atom, given that V has a BCC crystal structure, a density of 5.96
g/cm3, and an atomic weight of 50.9 g/mol.
Solution
This problem asks for us to calculate the radius of a vanadium atom. For BCC, n = 2 atoms/unit cell, and
Since, from Equation 3.8
and solving for R the previous equation
and incorporating values of parameters given in the problem statement
= 1.32 ๏ด 10-8 cm = 0.132 nm
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3.11 Some hypothetical metal has the simple cubic crystal structure shown in Figure 3.3. If its atomic
weight is 70.4 g/mol and the atomic radius is 0.126 nm, compute its density.
Solution
For the simple cubic crystal structure, the value of n in Equation 3.8 is unity since there is only a single
atom associated with each unit cell. Furthermore, for the unit cell edge length, a = 2R (Figure 3.3). Therefore,
employment of Equation 3.8 yields
and incorporating values of the other parameters provided in the problem statement leads to
7.31 g/cm3
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3.12 Zirconium has an HCP crystal structure and a density of 6.51 g/cm3.
(a) What is the volume of its unit cell in cubic meters?
(b) If the c/a ratio is 1.593, compute the values of c and a.
Solution
(a) The volume of the Zr unit cell may be computed using Equation 3.8 as
Now, for HCP, n = 6 atoms/unit cell, and for Zr, AZr = 91.22 g/mol. Thus,
= 1.396 ๏ด 10-22 cm3/unit cell = 1.396 ๏ด 10-28 m3/unit cell
(b) From Equation 3.S1 of the solution to Problem 3.6, for HCP
But, since a = 2R, (i.e., R = a/2) then
but, since c = 1.593a
Now, solving for a
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= 3.23 ๏ด 10-8 cm = 0.323 nm
And finally
c = 1.593a = (1.593)(0.323 nm) = 0.515 nm
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3.13 Using atomic weight, crystal structure, and atomic radius data tabulated inside the front cover,
compute the theoretical densities of lead, chromium, copper, and cobalt, and then compare these values with the
measured densities listed in this same table. The c/a ratio for cobalt is 1.623.
Solution
Since Pb has an FCC crystal structure, n = 4, and V =
C
(Equation 3.6). Also, R = 0.175 nm (1.75
๏ด 10 cm) and APb = 207.2 g/mol. Employment of Equation 3.8 yields
-8
= 11.35 g/cm3
The value given in the table inside the front cover is 11.35 g/cm 3.
Chromium has a BCC crystal structure for which n = 2 and VC = a3 =
(Equation 3.4); also, ACr =
52.00 g/mol and R = 0.125 nm. Therefore, employment of Equation 3.8 leads to
= 7.18 g/cm3
The value given in the table is 7.19 g/cm3.
Copper also has an FCC crystal structure and therefore
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= 8.90 g/cm3
The value given in the table is 8.90 g/cm3.
Cobalt has an HCP crystal structure, and from the solution to Problem 3.6 (Equation 3.S1),
and, since c = 1.623a and a = 2R, c = (1.623)(2R); hence
Also, there are 6 atoms/unit cell for HCP. Therefore, the theoretical density is
= 8.91 g/cm3
The value given in the table is 8.9 g/cm3.
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3.14 Rhodium has an atomic radius of 0.1345 nm and a density of 12.41 g/cm3. Determine whether it has
an FCC or BCC crystal structure.
Solution
In order to determine whether Rh has an FCC or a BCC crystal structure, we need to compute its density
for each of the crystal structures. For FCC, n = 4, and a =
(Equation 3.1). Also, from Figure 2.8, its atomic
weight is 102.91 g/mol. Thus, for FCC (employing Equation 3.8)
= 12.41 g/cm3
which is the value provided in the problem statement. Therefore, Rh has the FCC crystal structure.
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3.15 The atomic weight, density, and atomic radius for three hypothetical alloys are listed in the following
table. For each determine whether its crystal structure is FCC, BCC, or simple cubic and then justify your
determination.
Alloy
Atomic Weight
(g/mol)
Density
(g/cm3)
Atomic Radius
(nm)
A
77.4
8.22
0.125
B
107.6
13.42
0.133
C
127.3
9.23
0.142
Solution
For each of these three alloys we need, by trial and error, to calculate the density using Equation 3.5, and
compare it to the value cited in the problem. For SC, BCC, and FCC crystal structures, the respective values of n
are 1, 2, and 4, whereas the expressions for a (since VC = a3) are 2R,
, and
.
For alloy A, let us calculate ๏ฒ assuming a simple cubic crystal structure.
= 8.22 g/cm3
Therefore, its crystal structure is simple cubic.
For alloy B, let us calculate ๏ฒ assuming an FCC crystal structure.
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= 13.42 g/cm3
Therefore, its crystal structure is FCC.
For alloy C, let us calculate ๏ฒ assuming a simple cubic crystal structure.
= 9.23 g/cm3
Therefore, its crystal structure is simple cubic.
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3.16 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/cm 3, 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 Equation 3.8 as
= 4.00 atoms/unit cell
Therefore
= 0.534
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3.17 Iodine has an orthorhombic unit cell for which the a, b, and c lattice parameters are 0.479, 0.725,
and 0.978 nm, respectively.
(a) If the atomic packing factor and atomic radius are 0.547 and 0.177 nm, respectively, determine the
number of atoms in each unit cell.
(b) The atomic weight of iodine is 126.91 g/mol; compute its theoretical density.
Solution
(a) For iodine, and from the definition of the APF
we may solve for the number of atoms per unit cell, n, as
Incorporating values of the above parameters provided in the problem state leads to
= 8.0 atoms/unit cell
(b) In order to compute the density, we just employ Equation 3.8 as
= 4.96 g/cm3
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3. 18 Titanium has an HCP unit cell for which the ratio of the lattice parameters c/a is 1.58. If the radius
of the Ti atom is 0.1445 nm, (a) determine the unit cell volume, and (b) calculate the density of Ti and compare it
with the literature value.
Solution
(a) We are asked to calculate the unit cell volume for Ti. For HCP, from Equation 3.S1 (found in the
solution to Problem 3.6)
But for Ti, c = 1.58a, and a = 2R, or c = 3.16R, and
(b) The theoretical density of Ti is determined, using Equation 3.8, as follows:
For HCP, n = 6 atoms/unit cell, and for Ti, ATi = 47.88 g/mol (as noted inside the front cover). Thus,
= 4.81 g/cm3
The value given in the literature is 4.51 g/cm3.
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3.19 Zinc has an HCP crystal structure, a c/a ratio of 1.856, and a density of 7.13 g/cm3. Compute the
atomic radius for Zn.
Solution
In order to calculate the atomic radius for Zn, we must use Equation 3.8, as well as the expression which
relates the atomic radius to the unit cell volume for HCP; Equation 3.S1 (from Problem 3.6) is as follows:
In this case c = 1.856a, but, for HCP, a = 2R, which means that
And from Equation 3.8, the density is equal to
And, solving for R from the above equation leads to the following:
And incorporating appropriate values for the parameters in this equation leads to
= 1.33 ๏ด 10-8 cm = 0.133 nm
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3.20 Rhenium has an HCP crystal structure, an atomic radius of 0.137 nm, and a c/a ratio of 1.615.
Compute the volume of the unit cell for Re.
Solution
In order to compute the volume of the unit cell for Re, it is necessary to use Equation 3.S1 (found in Problem 3.6),
that is
The problem states that c = 1.615a, and a = 2R. Therefore
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Polymorphism and Allotropy
3.21 Iron (Fe) undergoes an allotropic transformation at 912๏ฐC: upon heating from a BCC (๏ก phase) to
an FCC (๏ง phase). Accompanying this transformation is a change in the atomic radius of Feโfrom rBCC = 0.12584
nm to rFCC = 0.12894 nmโand, in addition a change in density (and volume). Compute the percent volume change
associated with this reaction. Does the volume increase or decrease?
Solution
To solve this problem let us first compute the density of each phase using Equation 3.8, and then determine
the volumes per unit mass (the reciprocals of densities). From these values it is possible to calculate the percent
volume change.
The density of each phase may be computed using Equation 3.8โi.e.,
The atomic weight of Fe will be the same for both BCC and FCC structures (55.85 g/mol); however, values of n and
VC will be different.
For BCC iron, n = 2 atoms/unit cell, whereas the volume of the cubic unit cell is the cell edge length a
cubed–VC = a3. However, a and the atomic radius (rBCC) are related according to Equation 3.4โthat is
which means that
The value of rBCC is given in the problem statement as 0.12584 nm = 1.2584 ๏ด 10-8 cm. It is now possible to
calculate the density of BCC iron as follows:
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For FCC iron, n = 4 atoms/unit cell,
(Equation 3.6), and, as noted in the problem statement,
rFCC = 0.12894 nm = 1.2894 ๏ด 10-8 cm. We now calculate the density of FCC iron as follows:
Because we are interested in volumes of these two phases, for each we take the reciprocal of it density,
which is equivalent to volume per unit mass (or specific volume), v. The percent volume change
experienced by
iron during this phase transformation, upon heating is equal to
The volume decreases because vFCC < vBCC โi.e., since
.
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Crystal Systems
3.22 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 ๏ก = ๏ข = ๏ง = 90๏ฐ.
(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 3.8, the density is equal to
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= 13.0 g/cm3
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3.23 Sketch a unit cell for the body-centered orthorhombic crystal structure.
Solution
A unit cell for the body-centered orthorhombic crystal structure is presented below.
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Point Coordinates
3.24 List the point indices for all atoms that are associated with the BCC unit cell (Figure 3.2).
Solution
This problem asks that we list the point indices for all of the atoms associated with the BCC unit cell. The
reduced-sphere BCC unit cell, Figure 3.2b, is shown below on which is superimposed an x-y-z coordinate axis
system. Also, each atom in the unit cell is labeled with a number. Of course, because the unit cell is cubic, the unit
cell edge length along each of the x, y, and z axes is a.
Indices for each of these points is determined in a manner similar to that demonstrated in Example Problem 3.6. For
the atom labeled 1 in the BCC unit cell, its lattice position coordinates referenced to the x, y, and z axes are 0a, 0b,
and 0c, respectively. Therefore, its lattice position coordinates from Equations 3.9a through 3.9c are as follows:
And, solving these three expressions for q, r, and s, leads to the following:
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Therefore, the q r s indices for point 1 are 0 0 0.
For point 3, the lattice position coordinates referenced to the x, y, and z axes are a, b, and 0c, respectively.
Therefore, its lattice position coordinates from Equations 3.9a through 3.9c are as follows:
And, solving these three expressions for q, r, and s, leads to the following:
Therefore, the q r s indices for point 3 are 1 1 0.
This same procedure is carried out for the remaining the points in the unit cell; indices for all nine points
are listed in the following table.
Point number
q
r
s
1
2
3
4
5
6
7
8
0
1
1
0
0
1
1
0
0
0
1
1
0
0
1
1
0
0
0
0
1
1
1
1
9
1
2
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3.25 List the point indices of the titanium, barium, and oxygen ions for a unit cell of the perovskite crystal
structure (Figure 12.6).
Solution
This problem asks that we list the point indices for all of the ions associated with a unit cell for the
perovskite crystal structure. The reduced-sphere perovskite unit cell (Figure 12.6) is shown below; the unit cell is
cubic with Ba2+ ions positions on each of the eight corners, with an O2- ion on each of the six faces, and a single
Ti4+ ion at the unit cell center. Also, an x-y-z coordinate axis system is superimposed on the unit cell, and each ion
is labeled with a numberโBa2+ ions, 1 through 8; O2- ions, 9 through 14; and the Ti4+ ion, 15. Of course, because
the unit cell is cubic, the unit cell edge length along each of the x, y, and z axes is a.
Indices for each of these points is determined in a manner similar to that demonstrated in Example Problem 3.6. For
example, the Ba2+ ion labeled 8 in this unit cell, its lattice position coordinates referenced to the x, y, and z axes are
0a, b, and c, respectively. Therefore, its lattice position coordinates from Equations 3.9a through 3.9c are as
follows:
And, solving these three expressions for q, r, and s, leads to the following:
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Therefore, the q r s indices for point 8 are 0 1 1.
Next let us consider the O2- ion labeled 11 in the above figure. Its lattice position coordinates referenced to
the x, y, and z axes are a, b/2, and c/2, respectively. Therefore, its lattice position coordinates from Equations 3.9a
through 3.9c are as follows:
And, solving these three expressions for q, r, and s, leads to the following:
Therefore, the q r s indices for point 11 are 1
.
And finally, consider the Ti4+ ion labeled 15 in the above figure. Its lattice position coordinates referenced
to the x, y, and z axes are a/2, b/2, and c/2, respectively. Therefore, its lattice position coordinates from Equations
3.9a through 3.9c are as follows:
And, solving these three expressions for q, r, and s, leads to the following:
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Therefore, the q r s indices for point 15 are
.
This same procedure is carried out for the remaining the points in the unit cell; indices for all fifteen points
are listed in the following table.
Point number
q
r
s
1
2
3
4
5
6
7
8
0
1
1
0
0
1
1
0
0
0
1
1
0
0
1
1
0
0
0
0
1
1
1
1
9
10
11
12
13
14
15
1
0
2
1
2
0
1
1
2
1
0
1
2
1
1
2
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3.26 List the point indices of all atoms that are associated with the diamond cubic unit cell (Figure 12.16).
Solution
This problem asks that we list the point indices for all of the atoms associated with the diamond cubic unit
cell. The reduced-sphere diamond cubic unit cell (Figure 12.16) is shown below; the unit cell is cubic with C atoms
positioned on each of the eight corners (labeled 1 through 8), on each of the six faces (labeled 9 through 14), and
four atoms within the interior of the unit cell (labeled 15 through 18). Also, an x-y-z coordinate axis system is
superimposed on the unit cell. Of course, because the unit cell is cubic, the unit cell edge length along each of the x,
y, and z axes is a.
Indices for each of these points is determined in a manner similar to that demonstrated in Example Problem 3.6. For
example, the C atom labeled 8 in this unit cell, its lattice position coordinates referenced to the x, y, and z axes are
0a, b, and c, respectively. Therefore, its lattice position coordinates from Equations 3.9a through 3.9c are as
follows:
And, solving these three expressions for q, r, and s, leads to the following:
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Therefore, the q r s indices for point 8 are 0 1 1.
Next let us consider the C atom labeled 12 in the above figure. Its lattice position coordinates referenced to
the x, y, and z axes are a/2, b, and c/2, respectively. Therefore, its lattice position coordinates from Equations 3.9a
through 3.9c are as follows:
And, solving these three expressions for q, r, and s, leads to the following:
Therefore, the q r s indices for point 12 are
1
.
And finally, consider the C labeled 16 in the above figure. Its lattice position coordinates referenced to the
x, y, and z axes are a/4, 3b/4, and c/4, respectively. Therefore, its lattice position coordinates from Equations 3.9a
through 3.9c are as follows:
And, solving these three expressions for q, r, and s, leads to the following:
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Therefore, the q r s indices for point 15 are
.
This same procedure is carried out for the remaining the points in the unit cell; indices for all eighteen
points are listed in the following table.
Point number
q
r
s
1
2
3
4
5
6
7
8
0
1
1
0
0
1
1
0
0
0
1
1
0
0
1
1
0
0
0
0
1
1
1
1
9
10
11
12
13
14
1
0
2
1
2
0
1
1
2
1
0
1
2
1
15
16
17
18
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3.27 Sketch a tetragonal unit cell, and within that cell indicate locations of the
1
2
1
1
2
and
1 1 3
4 2 4
point
indices.
Solution
A tetragonal unit in which is shown the
and
point indices is presented below.
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3.28 Sketch an orthorhombic unit cell, and within that cell indicate locations of the
and
1 1 1
4 3 4
point
indices.
Solution
An orthorhombic unit cell in which is shown the location of the
An orthorhombic unit cell in which is shown location of the
point indices is presented below.
point indices is presented below.
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3.29
Using the Molecule Definition Utility found in both โMetallic Crystal Structures and
Crystallographyโ and โCeramic Crystal Structuresโ modules of VMSE, located on the bookโs website
[www.wiley.com/college/Callister (Student Companion Site)], generate a three-dimensional unit cell for the
intermetallic compound AuCu3 given the following: (1) the unit cell is cubic with an edge length of 0.374 nm, (2)
gold atoms are situated at all cube corners, and (3) copper atoms are positioned at the centers of all unit cell faces.
Solution
First of all, open the โMolecular Definition Utilityโ; it may be found in either of โMetallic Crystal
Structures and Crystallographyโ or โCeramic Crystal Structuresโ modules.
In the โStep 1โ window, it is necessary to define the atom types, colors for the spheres (atoms), and specify
atom sizes. Let us enter โAuโ as the name for the gold atoms (since โAuโ the symbol for gold). It is next necessary
to choose a color for gold; we will select โYellowโ. We now need to specify the atom size for gold. It is suggested
that atom/ion diameters in nanometers be used. From inside the front cover of the book, the atomic radius for gold
is 0.144 nmโtherefore, its atomic diameter is double this value, or 0.288 nm. After this value has been entered, it is
necessary to click on the โRegister Atom Typeโ button. In the window below the โStart Overโ button, the symbol
we have chosen for the gold atom (Au), its atomic diameter (in nm), as well as the selected color (Yellow) are
displayed.
This same procedure is followed for the copper atoms. Let us choose โCuโ to denote the atom type, โRedโ
for the atom color, and โ0.256โ for the atom diameter (since its atomic radius is 0.128 nm). This information also
needs to be registered.
In the โStep 2โ window we specify positions for all of the atoms within the unit cell; their point indices are
specified in the problem statement. Letโs begin with gold. First click on โAu[Yellow]โ in the โSelect atomโ
window. Again, Au atoms are situated at all eight corners of the cubic unit cell. One Au will be positioned at the
origin of the coordinate systemโi.e., its point indices are 000, and, therefore, we enter a โ0โ (zero) in each of the
โXโ, โYโ, and โZโ atom position boxes. Next we click on the โRegister Atom Positionโ button, which displays a
yellow sphere at the 000 location in the X-Y-Z coordinate system. Now we enter the coordinates of another gold
atom; let us arbitrarily select the one that resides at the corner of the unit cell that is one unit-cell length along the Xaxis (i.e., at the 100 point indices). Inasmuch as it is located a distance of a units along the X-axis the value of
โ0.374โ is entered in the โXโ atom position box (since this is the value of a given in the problem statement); zeros
are entered in each of the โYโ and โZโ position boxes; this atom position is registered. We repeat this procedure for
the remaining six Au atoms.
After this step has been completed, it is necessary to specify positions for the copper atoms, which are
located at all six face-centered sites.
To begin, we select โCu[Red]โ in the โSelect atomโ box.
The point
coordinates for some of the Cu atoms are fractional ones; in these instances, the a unit cell length (i.e., 0.374) is
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multiplied by the fraction. For example, one Cu atom is located
positions are (1)(0.374) = 0.374,
(0.374) = 0.187, and
indices. Therefore, the X, Y, and Z atom
(0.374) = 0.187, respectively.
For the gold atoms, the X, Y, and Z atom position entries for all 8 sets of point indices are as follows:
0, 0, and 0
0.374, 0, and 0
0, 0.374, and 0
0, 0, and 0.374
0, 0.374, 0.374
0.374, 0, 0.374
0.374, 0.374, 0
0.374, 0.374, 0.374
Now, for the copper atoms, the X, Y, and Z atom position entries for all 6 sets of point coordinates are as
follows:
0.187, 0.187, 0
0.187, 0, 0.187
0, 0.187, 0.187
0.374, 0.187, 0.187
0.187, 0.374, 0.187
0.187, 0.187, 0.374
In Step 3, we may specify which atoms are to be represented as being bonded to one another, and which
type of bond(s) to use (single, double, triple dashed, and dotted are possibilities), or we may elect to not represent
any bonds at all (in which case we are finished). If it is decided to show bonds, it is first necessary to select one of
the five bond types, and then one of the bond colors. Next, the two atoms between which the bond is to appear are
selected one at a time by double clicking on them (this causes the two atoms to become highlighted. Finally, the
bond appears upon clicking on the โRegister Bondโ button.
The image you have created may be rotated by using mouse click-and-drag
Your image should appear as the following screen shot. Here the gold atoms appear lighter than the copper
atoms.
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[Note: Unfortunately, with this version of the Molecular Definition Utility, it is not possible to save either the data
or the image that you have generated. You may use screen capture (or screenshot) software to record and store your
image.]
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Crystallographic Directions
3.30 Draw an orthorhombic unit cell, and within that cell a
direction.
Solution
This problem calls for us to draw a
direction within an orthorhombic unit cell (a โ b โ c, ๏ก = ๏ข = ๏ง =
90๏ฐ). This direction may be plotted using the procedure outlined in Example Problem 3.8, with which rearranged
forms of Equations 3.10a-3.10c are used. Let us position the tail of the direction vector at the origin of our
coordinate axes; this means that tail vector indices for this
direction are
u=1
v=2
w = โ1
Because the tail of the direction vector is positioned at the origin, its coordinates are as follows:
x1 = 0a
y1 = 0b
z1 = 0c
Head coordinates are determined using the rearranged forms of Equations 3.10a-3.10c, as follows:
Therefore, coordinates for the vector head are a, 2b, and โc. To locate the vector head, we start at the origin, point
O, and move along the +x-axis a units (from point O to point A), then parallel to the +y-axis 2b units (from point A
to point B). Finally, we proceed parallel to the z-axis -c units (from point B to point C). The
direction is the
vector from the origin (point O) to point C as shown.
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3.31 Sketch a monoclinic unit cell, and within that cell a
direction.
Solution
This problem asks that a
direction be drawn within a monoclinic unit cell (a โ b โ c, and ๏ก = ๏ข = 90ยบ
โ ๏ง). One such unit cell with its origin at point O is sketched below. This direction may be plotted using the
procedure outlined in Example Problem 3.8, with which rearranged forms of Equations 3.10a-3.10c are used. Let us
position the tail of the direction vector at the origin of our coordinate axes; this means that vector head indices for
this
direction are
u=0
v = โ1
w=1
Because the tail of the direction vector is positioned at the origin, its coordinates are as follows:
x1 = 0a
y1 = 0b
z1 = 0c
Head coordinates are determined using the rearranged forms of Equations 3.10a-3.10c, as follows:
Therefore, coordinates for the vector head are 0a, โb, and c. To locate the vector head, we start at the origin, point
O. Since the x index is zero, it is not necessary to move from point O along the x-axis. We now move from point O
b units along the minus y-axis (from point O to point R). Since the final coordinate is c, we move from point R
parallel to the z-axis, c units (to point P). Thus, the
direction corresponds to the vector passing from the
origin to point P, as indicated in the figure.
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3.32 What are the indices for the directions indicated by the two vectors in the sketch below?
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 = 0a
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
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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 = โc
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.
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3.33 Within a cubic unit cell, sketch the following directions:
(a)
(e)
(b)
(f)
(c)
(g)
(d)
(h)
Solution
(a) For the
direction, it is the case that
u = โ1
v=1
w=0
lf we select the origin of the coordinate system as the position of the vector tail, then
x1 = 0a
y1 = 0b
z1 = 0c
It is now possible to determine values of x2, y2, and z2 using rearranged forms of Equations 3.10a through 3.10c as
follows:
Thus, the vector head is located at โa, b, and 0c, and the direction vector having these head coordinates is plotted
below.
[Note: even though the unit cell is cubic, which means that the unit cell edge lengths are the same (i.e., a),
in order to clarify construction of the direction vector, we have chosen to use b and c to designate edge lengths along
y and z axes, respectively.]
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(b) For the
u = โ1
direction, it is the case that
v = โ2
w=1
lf we select the origin of the coordinate system as the position of the vector tail, then
x1 = 0a
y1 = 0b
z1 = 0c
It is now possible to determine values of x2, y2, and z2 using rearranged forms of Equations 3.10a through 3.10c as
follows:
Thus, the vector head is located at โa, โ2b, and c, and the direction vector having these head coordinates is plotted
below.
[Note: even though the unit cell is cubic, which means that the unit cell edge lengths are the same (i.e., a), in order
to clarify construction of the direction vector, we have chosen to use b and c to designate edge lengths along y and z
axes, respectively.]
(c) For the
direction, it is the case that
u=0
v = โ1
w=2
lf we select the origin of the coordinate system as the position of the vector tail, then
x1 = 0a
y1 = 0b
z1 = 0c
It is now possible to determine values of x2, y2, and z2 using rearranged forms of Equations 3.10a through 3.10c as
follows:
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Thus, the vector head is located at 0a, โb, and 2c, and the direction vector having these head coordinates is plotted
below.
[Note: even though the unit cell is cubic, which means that the unit cell edge lengths are the same (i.e., a), in order
to clarify construction of the direction vector, we have chosen to use b and c to designate edge lengths along y and z
axes, respectively.]
(d) For the
direction, it is the case that
u=1
v = โ3
w=3
lf we select the origin of the coordinate system as the position of the vector tail, then
x1 = 0a
y1 = 0b
z1 = 0c
It is now possible to determine values of x2, y2, and z2 using rearranged forms of Equations 3.10a through 3.10c as
follows:
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Thus, the vector head is located at a, โ3b, and 3c. However, in order to reduce the vector length, we have multiplied
these coordinates by 1/3, which gives the new set of head coordinates as a/3, โb, and c; the direction vector having
these head coordinates is plotted below.
[Note: even though the unit cell is cubic, which means that the unit cell edge lengths are the same (i.e., a), in order
to clarify construction of the direction vector, we have chosen to use b and c to designate edge lengths along y and z
axes, respectively.]
(e) For the
direction, it is the case that
u = โ1
v = โ1
w=1
lf we select the origin of the coordinate system as the position of the vector tail, then
x1 = 0a
y1 = 0b
z1 = 0c
It is now possible to determine values of x2, y2, and z2 using rearranged forms of Equations 3.10a through 3.10c as
follows:
Thus, the vector head is located at โa, โb, and c, and the direction vector having these head coordinates is plotted
below.
[Note: even though the unit cell is cubic, which means that the unit cell edge lengths are the same (i.e., a), in order
to clarify construction of the direction vector, we have chosen to use b and c to designate edge lengths along y and z
axes, respectively.]
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(f) For the
direction, it is the case that
u = โ1
v=2
w=2
lf we select the origin of the coordinate system as the position of the vector tail, then
x1 = 0a
y1 = 0b
z1 = 0c
It is now possible to determine values of x2, y2, and z2 using rearranged forms of Equations 3.10a through 3.10c as
follows:
Thus, the vector head is located at โa, 2b, and 2c. However, in order to reduce the vector length, we have multiplied
these coordinates by 1/2, which gives the new set of head coordinates as โa/2, b, and c; the direction vector having
these head coordinates is plotted below.
[Note: even though the unit cell is cubic, which means that the unit cell edge lengths are the same (i.e., a), in order
to clarify construction of the direction vector, we have chosen to use b and c to designate edge lengths along y and z
axes, respectively.]
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(g) For the
direction, it is the case that
u=1
v = โ2
w = โ3
lf we select the origin of the coordinate system as the position of the vector tail, then
x1 = 0a
y1 = 0b
z1 = 0c
It is now possible to determine values of x2, y2, and z2 using rearranged forms of Equations 3.10a through 3.10c as
follows:
Thus, the vector head is located at a, โ2b, and โ3c, and the direction vector having these head coordinates is plotted
below.
[Note: even though the unit cell is cubic, which means that the unit cell edge lengths are the same (i.e., a), in order
to clarify construction of the direction vector, we have chosen to use b and c to designate edge lengths along y and z
axes, respectively.]
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(h) For the
direction, it is the case that
u = โ1
v=0
w=3
lf we select the origin of the coordinate system as the position of the vector tail, then
x1 = 0a
y1 = 0b
z1 = 0c
It is now possible to determine values of x2, y2, and z2 using rearranged forms of Equations 3.10a through 3.10c as
follows:
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Thus, the vector head is located at โa, 0b, and 3c. However, in order to reduce the vector length, we have multiplied
these coordinates by 1/3, which gives the new set of head coordinates as โa/3, 0b, and c; the direction vector having
these head coordinates is plotted below.
[Note: even though the unit cell is cubic, which means that the unit cell edge lengths are the same (i.e., a), in order
to clarify construction of the direction vector, we have chosen to use b and c to designate edge lengths along y and z
axes, respectively.]
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3.34 Determine the indices for the directions shown in the following cubic unit cell:
For Direction A
We determine the indices of this direction vector using Equations 3.10a-3.10cโthat 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 3.10a, 3.10b, and 3.10c assuming a value of 1 for the parameter n
Therefore, Direction A is
.
For Direction B
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We determine the indices of this direction vector using Equations 3.10a-3.10cโthat 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 3.10a, 3.10b, and 3.10c assuming a value of 2 for the parameter n
Therefore, Direction B is
.
For Direction C
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We determine the indices of this direction vector using Equations 3.10a-3.10cโthat 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 3.10a, 3.10b, and 3.10c assuming a value of 2 for the parameter n
Therefore, Direction C is
.
For Direction D
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We determine the indices of this direction vector using Equations 3.10a-3.10cโthat 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 3.10a, 3.10b, and 3.10c assuming a value of 2 for the parameter n
Therefore, Direction D is
.
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3.35 Determine the indices for the directions shown in the following cubic unit cell:
For Direction A
We determine the indices of this direction vector using Equations 3.10a-3.10cโthat is, by subtracting
vector tail coordinates from head coordinates. Tail coordinates are as follows:
x1 = 2a/3
y1 = 0b
z1 = c
Whereas head coordinates are as follows:
x2 = 0a
y2 = b/2
z2 = c
From Equations 3.10a, 3.10b, and 3.10c assuming a value of 3 for the parameter n
Because the v index is 3/2, it is necessary to multiply each index by the factor 2 to eliminate the fraction. Therefore,
Direction A is
.
For Direction B
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We determine the indices of this direction vector using Equations 3.10a-3.10cโthat is, by subtracting
vector tail coordinates from head coordinates. Tail coordinates are as follows:
x1 = a/3
y1 = b
z1 = 0c
Whereas head coordinates are as follows:
x2 = a
y2 = 0b
z2 = 2c/3
From Equations 3.10a, 3.10b, and 3.10c assuming a value of 3 for the parameter n
Therefore, Direction B is
.
For Direction C
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We determine the indices of this direction vector using Equations 3.10a-3.10cโthat is, by subtracting
vector tail coordinates from head coordinates. Tail coordinates are as follows:
x1 = a/3
y1 = b
z1 = c
Whereas head coordinates are as follows:
x2 = 2a/3
y2 = 0b
z2 = 0c
From Equations 3.10a, 3.10b, and 3.10c assuming a value of 3 for the parameter n
Therefore, Direction C is
.
For Direction D
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We determine the indices of this direction vector using Equations 3.10a-3.10cโthat is, by subtracting
vector tail coordinates from head coordinates. Tail coordinates are as follows:
x1 = a/3
y1 = 0b
z1 = c
Whereas head coordinates are as follows:
x2 = a/2
y2 = b/2
z2 = 0c
From Equations 3.10a, 3.10b, and 3.10c assuming a value of 3 for the parameter n
In order to eliminate the factor 2 in the denominators of u and v it is necessary to multiply each index by 2.
Therefore, Direction D is
.
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3.36 (a) What are the direction indices for a vector that passes from point
to point
in cubic unit cell?
(b) Repeat part (a) for a monoclinic unit cell.
Solution
(a) Point indices for the vector tail,
r=1
, means that
s=1
or that, using Equations 3.9a-3.9c, lattice position coordinates to the three axis are determine as follows:
Similarly for the vector head:
q=0
r=1
And we determine lattice position coordinates for using Equations 3.9a-3.9c, in a similar manner:
And, finally, determination of the u, v, and w direction indices is possible using Equations 3.10a-3.10c; because
there is a 3 in the denominator and a 2 in another denominator of two of the lattice position coordinates, let us
assume a value of 6 for the parameter n in these equations. Therefore,
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Therefore, this vector points in a
direction.
(b) For a monoclinic unit cell, the direction indices will also be
. Lattice position coordinates for
both vector head and tail will be the same as for cubic. Likewise, incorporating these lattice position coordinates
into Equations 3.10a-3.10c also yield
u = โ4
v=0
w = โ3
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3.37 (a) What are the direction indices for a vector that passes from point
to point
in a tetragonal unit
cell?
(b) Repeat part (a) for a rhombohedral unit cell.
Solution
(a) Point indices for the vector tail,
, means that
r=0
or that, using Equations 3.9a-3.9c, lattice position coordinates to the three axes are determine as follows:
Similarly for the vector head:
r=1
And we determine lattice position coordinates for using Equations 3.9a-3.9c, in a similar manner:
And, finally, determination of the u, v, and w direction indices is possible using Equations 3.10a-3.10c; because
there is a 3 in the denominator and a 2 in another denominator of two of the lattice position coordinates, let us
assume a value of 6 for the parameter n in these equations. Therefore,
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Therefore, this vector points in a
direction.
(b) For a rhombohedral unit cell, the direction indices will also be
. Lattice position coordinates for
both vector head and tail will be the same as for cubic. Likewise, incorporating these lattice position coordinates
into Equations 3.10a-3.10c also yield
u = โ3
v=6
w=1
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3.38 For tetragonal crystals, cite the indices of directions that are equivalent to each of the following
directions:
(a) [001]
(b) [110]
(c) [010]
Solution
For tetragonal crystals, a = b โ c and ๏ก = ๏ข = ๏ง = 90๏ฐ; therefore, projections along the x and y axes are
equivalent, which are not equivalent to projections along the z axis.
(a) Therefore, for the [001] direction, there is only one equivalent direction:
(b) For the [110] direction, equivalent directions are as follows:
,
(b) Also, for the [010] direction, equivalent directions are the following:
.
, and
.
,
, and
.
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3.39 Convert the [100] and [111] directions into the four-index MillerโBravais scheme for hexagonal unit
cells.
Solution
For [100]
U=1
V=0
W=0
From Equations 3.11a-3.11d
w=W=0
It is necessary to multiply these numbers by 3 in order to reduce them to the lowest set of integers. Thus, the
direction is represented as [uvtw] =
.
For [111], U = 1, V = 1, and W = 1; therefore,
t=
w=1
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If we again multiply these numbers by 3, then u = 1, v = 1, t = -2, and w = 3. Thus, the direction is represented as
Thus, the direction is represented as [uvtw] =
.
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3.40 Determine indices for the directions shown in the following hexagonal unit cells:
Solutions
(a)
One way solve this problem is to begin by determining the U, V, and W indices for the vector referenced to
the three-axis scheme; this is possible using Equations 3.12a through 3.12c. Because the tail of the vector passes
through the origin, a1ยข = a2ยข = 0a , and z ยข = 0c . Furthermore, coordinates for the vector head are as follows:
Now, solving for U, V, and W using Equations 3.12a, 3.12b, and 3.12c assuming a value of 2 for the parameter n
Now, it becomes necessary to convert these indices into an index set referenced to the four-axis scheme. This
requires the use of Equations 3.11a through 3.11d, as follows:
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w=W=1
No reduction is necessary inasmuch as all of these indices are integers; therefore, this direction in the four-index
scheme is
(b)
We solve this problem by first determining the U, V, and W indices for the vector referenced to the threeaxis scheme; this is possible using Equations 3.12a through 3.12c. Because the tail of the vector passes through the
origin, a1ยข = a2ยข = 0a , and z ยข = 0c . Furthermore, coordinates for the vector head are as follows:
Now, solving for U, V, and W using Equations 3.12a, 3.12b, and 3.12c assuming a value of 2 for the parameter n
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Now, it becomes necessary to convert these indices into an index set referenced to the four-axis scheme. This
requires the use of Equations 3.11a through 3.11d, as follows:
w=W=0
No reduction is necessary inasmuch as all of these indices are integers; therefore, this direction in the four-index
scheme is
(c)
We solve this problem by first determining the U, V, and W indices for the vector referenced to the threeaxis scheme; this is possible using Equations 3.12a through 3.12c. Because the tail of the vector passes through the
origin,
, and
. Furthermore, coordinates for the vector head are as follows:
Now, solving for U, V, and W using Equations 3.12a, 3.12b, and 3.12c assuming a value of 2 for the parameter n
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Now, it becomes necessary to convert these indices into an index set referenced to the four-axis scheme. This
requires the use of Equations 3.11a through 3.11d, as follows:
w=W=1
Now, in order to get the lowest set of integers, it is necessary to multiply all indices by the factor 3, with the result
that this direction is a
direction.
(d)
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We solve this problem by first determining the U, V, and W indices for the vector referenced to the threeaxis scheme; this is possible using Equations 3.12a through 3.12c. Because the tail of the vector passes through the
origin,
, and
. Furthermore, coordinates for the vector head are as follows:
Now, solving for U, V, and W using Equations 3.12a, 3.12b, and 3.12c assuming a value of 1 for the parameter n
Now, it becomes necessary to convert these indices into an index set referenced to the four-axis scheme. This
requires the use of Equations 3.11a through 3.11d, as follows:
w=W=0
Now, in order to get the lowest set of integers, it is necessary to multiply all indices by the factor 3, with the result
that this is a
direction.
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3.41 Using Equations 3.11a, 3.11b, 3.11c, and 3.11d, derive expressions for each of the three U, V, and W
indices in terms of the four u, v, t, and w indices.
Solution
It is first necessary to do an expansion of Equation 3.11a as
And solving this expression for V yields
(S3.41a)
Now, substitution of this expression into Equation 3.11b gives
Or
(S3.41b)
And, solving for v from Equation 3.11c leads to
which, when substituted into the above expression for U (Equation S3.41b), yields
(S3.41c)
In solving for an expression for V, we begin with the above Equation S3.41aโi.e.,
Now, substitution of the above expression for U (Equation S3.41c) into Equation S3.41a leads to
(S3.41d)
And solving for u from Equation 3.11c gives
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which, when substituted in Equation S3.41d results in the following expression for V
And, finally, from Equation 3.11d
W=w
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Crystallographic Planes
3.42 (a) Draw an orthorhombic unit cell, and within that cell a (210) plane.
(b) Draw a monoclinic unit cell, and within that cell a (002) plane.
Solution
(a) We are asked to draw a (210) plane within an orthorhombic unit cell. For the orthorhombic crystal
system, relationships among the lattice parameters are as follows:
aโ bโ c
๏ก = ๏ข = ๏ง = 90๏ฐ
Thus, the three coordinate axes are parallel to one another. In order to construct the (210) plane it is necessary to
determine intersections with the coordinate axes. The A, B, and C intercepts are computed using rearranged forms
of Equations 3.13a, 3.13b, and 3.13c with h = 2, k = 1, and l = 0. Thus, intercept values are as follows (assuming n
= 1):
Thus, intercepts with the x, y, and z axes are respectively, a/2, b, and โc; this plane parallels the z axis inasmuch as
its intercept is infinity. The plane that satisfies these requirements has been drawn within the orthorhombic unit cell
below.
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(b) In this part of the problem we are asked to draw a (002) plane within a monoclinic unit cell. For the
monoclinic crystal system, relationships among the lattice parameters are as follows:
aโ bโ c
๏ก = ๏ง = 90๏ฐ ๏น ๏ข
In order to construct the (002) plane it is necessary to determine intersections with the coordinate axes. The A, B,
and C intercepts are computed using rearranged forms of Equations 3.13a, 3.13b, and 3.13c with h = 0, k = 0, and l =
2. Thus, intercept values are as follows (assuming n = 1):
Thus, intercepts with the x, y, and z axes are respectively, โa, โb, and c/2; this plane parallels both the x and y axes
inasmuch their intercepts are infinity. The plane that satisfies these requirements has been drawn within the
monoclinic unit cell below.
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3.43 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 3.13a, 3.13b, and 3.13c.
Plane 1, is parallel to both the the x and z axes and intercepts the y axis b/2โthat is
A = ๏ฅa
C = ๏ฅc
B = b/2
Thus, from Equations 3.13a through 3.13c (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), โb/2 (โ0.2 nm), and c (0.2 nm)โthat is
A = a/2
B = โb/2
C=c
And when we incorporate these values into Equations 3.13a, 3.13b, and 3.13c, computations of the h, k, and l indices
are as follows (assuming that n = 1):
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Therefore, Plane 2 is a
plane.
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3.44 Sketch within a cubic unit cell the following planes:
(a)
(e)
(b)
(f)
(c)
(g)
(d)
(h)
Solutions
In order to plot each of these planes it is necessary to determine the axial intercepts using rearranged forms
of Equations 3.13a, 3.13b, and 3.13c.
The indices for plane (a) are as follows:
h=0
k = โ1
l = โ1
Thus, we solve for the A, B, and C intercepts using rearranged Equations 3.13 as follows (assuming that n = 1):
Thus, this plane intersects the y and z axes at โb and โc, respectively, and parallels the x axis. This plane has been
drawn in the following sketch.
(b) The indices for the
h=1
plane are as follows:
k=1
l = โ2
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Thus, we solve for the A, B, and C intercepts using rearranged Equations 3.13 as follows (assuming that n = 1):
Thus, this plane intersects the x, y, and z axes at a, b, and โc/2, respectively. This plane has been drawn in the
following sketch.
(c) The indices for the
h=1
plane are as follows:
k=0
l = โ2
Thus, we solve for the A, B, and C intercepts using rearranged Equations 3.13 as follows (assuming that n = 1):
Thus, this plane intersects the x and z axes at a and โc/2, respectively, and parallels the y axis. This plane has been
drawn in the following sketch.
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(d) The indices for the
h=1
plane are as follows:
k = โ3
l=1
Thus, we solve for the A, B, and C intercepts using rearranged Equations 3.13 as follows (assuming that n = 1):
Thus, this plane intersects the x, y, and z axes at a, โb/3, and c, respectively. This plane has been drawn in the
following sketch.
(e) The indices for the
h = โ1
plane are as follows:
k=1
l = โ1
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Thus, we solve for the A, B, and C intercepts using rearranged Equations 3.13 as follows (assuming that n = 1):
Thus, this plane intersects the x, y, and z axes at โa, b, and โc, respectively. This plane has been drawn in the
following sketch.
(f) The indices for the
h=1
plane are as follows:
k = โ2
l = โ2
Thus, we solve for the A, B, and C intercepts using rearranged Equations 3.13 as follows (assuming that n = 1):
Thus, this plane intersects the x, y, and z axes at a, โb/2, and โc/2, respectively. This plane has been drawn in the
following sketch.
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(g) The indices for the
h = โ1
plane are as follows:
k=2
l = โ3
Thus, we solve for the A, B, and C intercepts using rearranged Equations 3.13 as follows (assuming that n = 1):
Thus, this plane intersects the x, y, and z axes at โa, b/2, and โc/3, respectively. This plane has been drawn in the
following sketch.
(h) The indices for the
h=0
plane are as follows:
k = โ1
l = โ3
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Thus, we solve for the A, B, and C intercepts using rearranged Equations 3.13 as follows (assuming that n = 1):
Thus, this plane intersects the y and z axes at โb and โc/3, respectively, and parallels the x axis. This plane has been
drawn in the following sketch.
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3.45 Determine the Miller indices for the planes shown in the following unit cell:
Solution
For plane A, its intersections with with the x, y, and z axes are a/2, ๏ฅb, and 2c/3 (because this plane
parallels the y axis)โthese three values are equal to A, B, and C, respectively. If we assume that the value of n is 1,
the values of h, k, and l are determined using Equations 3.13a, 3.13b, and 3.13c as follows:
In order to make these indices integers, we need to multiply each index by the factor 2. Therefore, plane A is a
plane.
For plane B we will move the origin of the unit cell one unit cell distance to the right along the y axis, and
one unit cell distance parallel to the x axis. Using this new origin, intersections with with the x, y, and z axes are,
respectively, as follows: โa, โb, and c/2; these are the values of A, B, and C, respectively. If we assume that the
value of n is 1, the values of h, k, and l are determined using Equations 3.13a, 3.13b, and 3.13c as follows:
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Therefore, plane B is a
plane.
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3.46 Determine the Miller indices for the planes shown in the following unit cell:
Solution
For plane A we will move the origin of the unit cell one unit cell distance upward along the z axis. Using
this new origin, intersections with with the x, y, and z axes are, respectively, as follows: a/3, b/2, and โc/2; these are
the values of A, B, and C, respectively. If we assume that the value of n is 1, the values of h, k, and l are determined
using Equations 3.13a, 3.13b, and 3.13c as follows:
Therefore, plane A is a
plane.
For plane B we will move the original of the coordinate system on unit cell distance along the x axis.
Using this new origin, intersections with with the x, y, and z axes are, respectively, as follows: โa/2, ๏ฅb (since the
plane parallels the y axis), and c/2; these are the values of A, B, and C, respectively. If we assume that the value of n
is 1, the values of h, k, and l are determined using Equations 3.13a, 3.13b, and 3.13c as follows:
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We can reduce these indices to the lowest set of integers by dividing each by the factor 2. Therefore, plane B is a
plane.
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3.47 Determine the Miller indices for the planes shown in the following unit cell:
Solution
For plane A, since the plane passes through the origin of the coordinate system as shown, we will move the
origin of the coordinate system one unit cell distance to the right along the y axis. Using this new origin,
intersections with with the x, y, and z axes are, respectively, as follows: 2a/3, โb, and c/2; these are the values of A,
B, and C, respectively. If we assume that the value of n is 1, the values of h, k, and l are determined using
Equations 3.13a, 3.13b, and 3.13c as follows:
We can reduce these indices to the lowest set of integers by dividing each by the factor 2. Therefore, plane A is a
plane.
For plane B, its intersections with with the x, y, and z axes are a/2, b/2, and c, which are the values of A, B,
and C, respectively. If we assume that the value of n is 1, the values of h, k, and l are determined using Equations
3.13a, 3.13b, and 3.13c as follows:
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Therefore, plane B is a (221) plane.
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3.48 Cite the indices of the direction that results from the intersection of each of the following pair of planes
within a cubic crystal: (a) (100) and (010) planes, (b) (111) and
planes, and (c)
and (001)
planes.
Solution
(a) In the figure below is shown (100) and (010) planes, and, as indicated, their intersection results in a [001],
or equivalently, a
direction.
(b) In the figure below is shown (111) and
, or equivalently, a
planes, and, as indicated, their intersection results in a
direction.
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(c) In the figure below is shown
[010], or equivalently, a
and (001) planes, and, as indicated, their intersection results in a
direction.
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3.49 Sketch the atomic packing of (a) the (100) plane for the BCC crystal structure, and (b) the (201)
plane for the FCC crystal structure (similar to Figures 3.11b and 3.12b).
Solution
(a) A BCC unit cell, its (100) plane, and the atomic packing of this plane are indicated below.
Corresponding atom positions in the two drawings are indicated by letters W, X, Y, and Z.
(b)
An FCC unit cell, its (201) plane, and the atomic packing of this plane are indicated below.
Corresponding atom positions in the two drawing are indicated by the letters A, B, and C.
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3.50 Consider the reduced-sphere unit cell shown in Problem 3.22, having an origin of the coordinate
system positioned at the atom labeled with an O. For the following sets of planes, determine which are equivalent:
(a)
, (010), and,
(b)
,
,
, and
(c)
,
,
, and
Solution
(a) The unit cell in Problem 3.22 is body-centered tetragonal. Of the three planes given in the problem
statement the
and (010) are equivalentโthat is, have the same atomic packing. The atomic packing for these
two planes as well as the
are shown in the figure below.
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(b) Of the four planes cited in the problem statement,
and
are equivalent to one anotherโ
have the same atomic packing. The atomic arrangement of these planes is shown in the left drawing below.
Furthermore, the
and
are equivalent to each other (but not to the other pair of planes); their atomic
arrangement is represented in the other drawing. Note: the 0.424 nm dimension in the left-most drawing comes
from the relationship
. Likewise, the 0.500 nm dimension found in the right-most
drawing comes from
(c) All of the
.
,
,
, and
planes are equivalent, that is, have the same atomic
packing as illustrated in the following figure:
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3.51 The accompanying figure shows the atomic packing schemes for several different crystallographic
directions for some hypothetical metal. For each direction the circles represent only those atoms contained within a
unit cell, which circles are reduced from their actual size.
(a) To what crystal system does the unit cell belong?
(b) What would this crystal structure be called?
Solution
Below is constructed a unit cell using the six crystallographic directions that were provided in the problem.
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(a) This unit cell belongs to the tetragonal system since a = b = 0.40 nm, c = 0.50 nm, and ๏ก = ๏ข = ๏ง = 90๏ฐ.
(b) This crystal structure would be called face-centered tetragonal since the unit cell has tetragonal
symmetry, and an atom is located at each of the corners, as well as at the centers of all six unit cell faces. In the
figure above, atoms are only shown at the centers of three faces; however, atoms would also be situated at opposite
faces.
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3.52 The accompanying figure shows three different crystallographic planes for a unit cell of some
hypothetical metal. The circles represent atoms:
(a) To what crystal system does the unit cell belong?
(b) What would this crystal structure be called?
(c) If the density of this metal is 8.95 g/cm3, determine its atomic weight.
Solution
The unit cells constructed below show the three crystallographic planes that were provided in the problem
statement.
(a) This unit cell belongs to the orthorhombic crystal system since a = 0.30 nm, b = 0.40 nm, c = 0.35 nm,
and ๏ก = ๏ข = ๏ง = 90๏ฐ.
(b) This crystal structure would be called body-centered orthorhombic since the unit cell has orthorhombic
symmetry, and an atom is located at each of the corners, as well as at the cell center.
(c) In order to compute its atomic weight, we employ Equation 3.8, with n = 2; thus
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= 113.2 g/mol
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3.53 Convert the (010) and (101) planes into the four-index MillerโBravais scheme for hexagonal unit
cells.
Solution
For (010), h = 0, k = 1, and l = 0, and, from Equation 3.14, the value of i is equal to
Therefore, the (010) plane becomes
.
Now for the (101) plane, h = 1, k = 0, and l = 1, and computation of i using Equation 3.14 leads to
such that (101) becomes
.
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3.54 Determine the indices for the planes shown in the hexagonal unit cells below:
Solution
(a)
For this plane, intersections with a1, a2, and z axes are ๏ฅa, ๏ฅa, and c/2 (the plane parallels both a1 and a2
axes). Therefore, these three values are equal to A, B, and C, respectively. If we assume that the value of n is 1, the
values of h, k, and l are determined using Equations 3.13a, 3.13b, and 3.13c as follows:
Now, from Equation 3.14, the value of i is
Hence, this is a
plane.
(b)
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This plane passes through the origin of the coordinate axis system; therefore, we translate this plane one
unit distance along the x axis, per the sketch shown below:
For this plane, intersections with a1, a2, and z axes are a, ๏ฅa, and ๏ฅc (the plane parallels both a2 and z axes).
Therefore, these three values are equal to A, B, and C, respectively. If we assume that the value of n is 1, the values
of h, k, and l are determined using Equations 3.13a, 3.13b, and 3.13c as follows:
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Now, from Equation 3.14, the value of i is
Hence, this is a
plane.
(c)
For this plane, intersections with a1, a2, and z axes are โa, a, and c. Therefore, these three values are equal
to A, B, and C, respectively. If we assume that the value of n is 1, the values of h, k, and l are determined using
Equations 3.13a, 3.13b, and 3.13c as follows:
Now, from Equation 3.14, the value of i is
Hence, this is a
plane.
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(d)
For this plane, intersections with a1, a2, and z axes are โa/2, a, and c/2. Therefore, these three values are
equal to A, B, and C, respectively. If we assume that the value of n is 1, the values of h, k, and l are determined
using Equations 3.13a, 3.13b, and 3.13c as follows:
Now, from Equation 3.14, the value of i is
Hence, this is a
plane.
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3.55 Sketch the
and
planes in a hexagonal unit cell.
Solution
For
the values of h, k, i, and l are, respectively, 1, โ1, 0, and 1. Now, for h, k, and l, we solve for
values of intersections with the a1, a2, and z axes (i.e., A, B, and C) using rearranged forms of Equations 3.13a,
3.13b, and 3.13c (assuming a value of 1 for the parameter n) as follows:
C=
nc (1)c
=
=c
l
1
Hence, this plane intersects the a1 axis at a, the a2 axis at โa, and the z axis at c. The plane having these
intersections is shown in the figure below.
For
the values of h, k, i, and l are, respectively, 1, 1, โ2, and 0. Now, for h, k, and l, we solve for
values of intersections with the a1, a2, and z axes (i.e., A, B, and C) using rearranged forms of Equations 3.13a,
3.13b, and 3.13c (assuming a value of 1 for the parameter n) as follows:
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Hence, this plane intersects the a1 axis at a, the a2 axis at a, and parallels the z axis. The plane having these
intersections is shown in the figure below.
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Linear and Planar Densities
3.56 (a) Derive linear density expressions for FCC [100] and [111] directions in terms of the atomic
radius R.
(b) Compute and compare linear density values for these same two directions for silver.
Solution
(a) In the figure below is shown a [100] direction within an FCC unit cell.
For this [100] direction there is one atom at each of the two unit cell corners, and, thus, there is the equivalent of 1
atom that is centered on the direction vector. The length of this direction vector is just the unit cell edge length,
(Equation 3.1). Therefore, the expression for the linear density of this plane is
An FCC unit cell within which is drawn a [111] direction is shown below.
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For this [111] direction, the vector shown passes through only the centers of the single atom at each of its ends, and,
thus, there is the equivalence of 1 atom that is centered on the direction vector. The length of this direction vector is
denoted by z in this figure, which is equal to
where x is the length of the bottom face diagonal, which is equal to 4R. Furthermore, y is the unit cell edge length,
which is equal to
(Equation 3.1). Thus, using the above equation, the length z may be calculated as follows:
Therefore, the expression for the linear density of this direction is
(b) From the table inside the front cover, the atomic radius for silver is 0.144 nm. Therefore, the linear
density for the [100] direction is
While for the [111] direction
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3.57 (a) Derive linear density expressions for BCC [110] and [111] directions in terms of the atomic
radius R.
(b) Compute and compare linear density values for these same two directions for tungsten.
Solution
(a) In the figure below is shown a [110] direction within a BCC unit cell.
For this [110] direction there is one atom at each of the two unit cell corners, and, thus, there is the equivalence of 1
atom that is centered on the direction vector. The length of this direction vector is denoted by x in this figure, which
is equal to
where y is the unit cell edge length, which, from Equation 3.4 is equal to
. Furthermore, z is the length of the
unit cell diagonal, which is equal to 4R. Thus, using the above equation, the length x may be calculated as follows:
Therefore, the expression for the linear density of this direction is
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A BCC unit cell within which is drawn a [111] direction is shown below.
For although the [111] direction vector shown passes through the centers of three atoms, there is an equivalence of
only two atoms associated with this unit cellโone-half of each of the two atoms at the end of the vector, in addition
to the center atom belongs entirely to the unit cell. Furthermore, the length of the vector shown is equal to 4R, since
all of the atoms whose centers the vector passes through touch one another. Therefore, the linear density is equal to
(b) From the table inside the front cover, the atomic radius for tungsten is 0.137 nm. Therefore, the linear
density for the [110] direction is
While for the [111] direction
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3.58 (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
2
= 8R . 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.
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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
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While for the (111) plane
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3.59 (a) Derive planar density expressions for BCC (100) and (110) planes in terms of the atomic radius
R.
(b) Compute and compare planar density values for these same two planes for vanadium.
Solution
(a) A BCC unit cell within which is drawn a (100) plane is shown below.
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. Thus, there is the equivalence of 1 atom associated with this BCC (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 3.4); and, thus, the area of this square is just
=
. Hence, the planar density for this (100)
plane is just
A BCC unit cell within which is drawn a (110) plane is shown below.
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For this (110) plane there is one atom at each of the four cube corners through which it passes, 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 BCC (110) plane. The planar section represented in the above figure is a
rectangle, as noted in the figure below.
From this figure, the area of the rectangle is the product of x and y. The length x is just the unit cell edge length,
which for BCC (Equation 3.4) is
. Now, the diagonal length z is equal to 4R. For the triangle bounded by the
lengths x, y, and z
Or
Thus, in terms of R, the area of this (110) plane is just
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And, finally, the planar density for this (110) plane is just
(b) From the table inside the front cover, the atomic radius for vanadium is 0.132 nm. Therefore, the
planar density for the (100) plane is
While for the (110) plane
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3.60 (a) Derive the planar density expression for the HCP (0001) plane in terms of the atomic radius R.
(b) Compute the planar density value for this same plane for magnesium.
Solution
(a) A (0001) plane for an HCP unit cell is show below.
Each of the 6 perimeter atoms in this plane is shared with three other unit cells, whereas the center atom is shared
with no other unit cells; this gives rise to three equivalent atoms belonging to this plane.
In terms of the atomic radius R, the area of each of the 6 equilateral triangles that have been drawn is
, or the total area of the plane shown is
. And the planar density for this (0001) plane is equal to
(b) From the table inside the front cover, the atomic radius for magnesium is 0.160 nm. Therefore, the
planar density for the (0001) plane is
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Polycrystalline Materials
3.61 Explain why the properties of polycrystalline materials are most often isotropic.
Solution
Although each individual grain in a polycrystalline material may be anisotropic, if the grains have random
orientations, then the solid aggregate of the many anisotropic grains will behave isotropically.
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X-ray Diffraction: Determination of Crystal Structures
3.62 The interplanar spacing dhkl for planes in a unit cell having orthorhombic geometry is given by
where a, b, and c are the lattice parameters.
(a) To what equation does this expression reduce for crystals having cubic symmetry?
(b) For crystals having tetragonal symmetry?
Solution
(a) For the crystals having cubic symmetry, a = b = c. Making this substitution into the above equation
leads to
(b) For crystals having tetragonal symmetry, a = b ๏น c. Replacing b with a in the equation found in the
problem statement leads to
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3.63 Using the data for molybdenum in Table 3.1, compute the interplanar spacing for the (111) set of
planes.
Solution
From the Table 3.1, molybdenum has a BCC crystal structure and an atomic radius of 0.1363 nm. Using
Equation (3.4), the lattice parameter a may be computed as
Now, the interplanar spacing d111 maybe determined using Equation 3.21 as
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3.64 Using the data for aluminum in Table 3.1, compute the interplanar spacings for the (110) and (221)
sets of planes.
Solution
From the table, aluminum has an FCC crystal structure and an atomic radius of 0.1431 nm. Using Equation
3.1 the lattice parameter, a, may be computed as
Now, the d110 interplanar spacing may be determined using Equation 3.21 as
And, similarly for d221
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3.65 Determine the expected diffraction angle for the first-order reflection from the (113) set of planes for
FCC platinum when monochromatic radiation of wavelength 0.1542 nm is used.
Solution
We first calculate the lattice parameter using Equation 3.1 and the value of R (0.1387 nm) cited in Table
3.1, as follows:
Next, the interplanar spacing for the (113) set of planes may be determined using Equation 3.21 according to
And finally, employment of Equation 3.20 yields the diffraction angle as
Which leads to
And, finally
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3.66 The metal iridium has an FCC crystal structure. If the angle of diffraction for the (220) set of planes
occurs at 69.22๏ฐ (first-order reflection) when monochromatic x-radiation having a wavelength of 0.1542 nm is used,
compute (a) the interplanar spacing for this set of planes, and (b) the atomic radius for an iridium atom.
Solution
(a) From the data given in the problem, and realizing that 69.22๏ฐ = 2๏ฑ, the interplanar spacing for the (220)
set of planes for iridium may be computed using Equation 3.20 as
(b) In order to compute the atomic radius we must first determine the lattice parameter, a, using Equation
3.21, and then R from Equation 3.1 since Ir has an FCC crystal structure. Therefore,
And, from Equation 3.1
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3.67 The metal rubidium has a BCC crystal structure. If the angle of diffraction for the (321) set of planes
occurs at 27.00๏ฐ (first-order reflection) when monochromatic x-radiation having a wavelength of 0.0711 nm is used,
compute (a) the interplanar spacing for this set of planes, and (b) the atomic radius for the rubidium atom.
Solution
(a) From the data given in the problem, and realizing that 27.00๏ฐ = 2๏ฑ, the interplanar spacing for the (321)
set of planes for Rb may be computed using Equation 3.20 as follows:
(b) In order to compute the atomic radius we must first determine the lattice parameter, a, using Equation
3.21, and then R from Equation 3.4 since Rb has a BCC crystal structure. Therefore,
And, from Equation 3.4
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3.68 For which set of crystallographic planes will a first-order diffraction peak occur at a diffraction
angle of 46.21๏ฐ for BCC iron when monochromatic radiation having a wavelength of 0.0711 nm is used?
Solution
The first step to solve this problem is to compute the interplanar spacing using Equation 3.20. Thus,
Now, employment of both Equations 3.21 and 3.4 (since Feโs crystal structure is BCC), and the value of R for iron
from Table 3.1 (0.1241 nm) leads to
This means that
By trial and error, the only three integers having a sum that is even, and the sum of the squares of which equals 10.0
are 3, 1, and 0. Therefore, the set of planes responsible for this diffraction peak are the (310) ones.
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3.69 Figure 3.25 shows the first four peaks of the x-ray diffraction pattern for copper, which has an FCC
crystal structure; monochromatic x-radiation having a wavelength of 0.1542 nm was used.
(a) Index (i.e., give h, k, and l indices) for each of these peaks.
(b) Determine the interplanar spacing for each of the peaks.
(c) For each peak, determine the atomic radius for Cu and compare these with the value presented in Table
3.1.
Solution
(a) Since Cu has an FCC crystal structure, only those peaks for which h, k, and l are all either odd or even
will appear. Therefore, the first peak results by diffraction from (111) planes.
(b) For each peak, in order to calculate the interplanar spacing we must employ Equation 3.20. For the
first peak which occurs at 43.8๏ฐ
(c) Employment of Equations 3.21 and 3.1 is necessary for the computation of R for Cu as
= 0.1266 nm
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Similar computations are made for the other peaks, which results are tabulated below:
Peak Index
2๏ฑ
dhkl(nm)
R (nm)
200
50.8
0.1797
0.1271
220
74.4
0.1275
0.1275
311
90.4
0.1087
0.1274
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3.70 Below are listed diffraction angles for the first four peaks (first-order) of the x-ray diffraction pattern
for chromium, which has a BCC crystal structure; monochromatic x-radiation having a wavelength of 0.0711 nm
was used.
Plane Indices
Diffraction Angle
(2๏ฑ)
(110)
20.1๏ฐ
(200)
28.5๏ฐ
(211)
35.1๏ฐ
(220)
40.7๏ฐ
(a) Determine the interplanar spacing for each of the peaks.
(b) For each peak, determine the atomic radius for Cr, and compare these with the value presented in
Table 3.1.
Solution
(a) For each peak, in order to calculate the interplanar spacing we must employ Equation 3.20. For the
first peak [which occurs by diffraction from the (110) set of planes] and occurs at 20.1๏ฐ–that is, 2๏ฑ = 20.1๏ฐ; this
means that ๏ฑ = 20.1๏ฐ/2 = 10.05๏ฐ. Using Equation 3.20, the interplanar spacing is computed as follows:
(b) Employment of Equations 3.21 and 3.4 is necessary for the computation of R for Cr as
=
( 3)(0.204 nm) (1)2 + (1)2 + (0)2
4
= 0.125 nm
Similar computations are made for the other peaks which results are tabulated below:
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Peak Index
2๏ฑ
dhkl(nm)
R (nm)
200
28.5
0.144
0.125
211
35.1
0.118
0.125
220
40.7
0.102
0.125
The atomic radius for chromium cited in Table 3.1 is 0.1249 nm.
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3.71 Below are listed diffraction angles for the first three peaks (first-order) of the x-ray diffraction pattern
for some metal. Monochromatic x-radiation having a wavelength of 0.1254 nm was used.
(a) Determine whether this metal's crystal structure is FCC, BCC, or neither FCC or BCC and explain the
reason for your choice.
(b) If the crystal structure is either BCC or FCC, identify which of the metals in Table 3.1 gives this
diffraction pattern. Justify your decision.
Peak Number
Diffraction Angle
(2๏ฑ)
1
31.2๏ฐ
2
44.6๏ฐ
3
55.4๏ฐ
Solution
(a) The steps in solving this part of the problem are as follows:
1. For each of these peaks compute the value of dhkl using Equation 3.20 in the form
(P.1)
taking n = 1 since this is a first-order reflection, and ๏ฌ = 0.1254 nm (as given in the problem statement).
2. Using the value of dhkl for each peak, determine the value of a from Equation 3.21 for both BCC and
FCC crystal structuresโthat is
(P.2)
For BCC the planar indices for the first three peaks are (110), (200), and (211), which yield the respective h2 + k2 +
l2 values of 2, 4, and 6. On the other hand, for FCC planar indices for the first three peaks are (111), (200), and
(220), which yield the respective h2 + k2 + l2 values of 3, 4, and 8.
3. If the three values of a are the same (or nearly the same) for either BCC or FCC then the crystal
structure is which of BCC or FCC has the same a value.
4. If none of the set of a values for both FCC and BCC are the same (or nearly the same) then the crystal
structure is neither BCC or FCC.
Step 1
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Using Equation P.1, the three values of dhkl are computed as follows:
Step 2
Using Equation P.2 let us first compute values of a for BCC.
For the (110) set of planes
For the (200) set of planes:
And for the (211) set of planes:
Inasmuch as these three values of a are nearly the same, the crystal structure is BCC.
(b) Since we know the value of a for this BCC crystal structure, it is possible to calculate the value of the
atomic radius R using a rearranged form of Equation 3.4; and once we know the value of R, we just find that metal
in Table 3.1 that has this atomic radius. Thus, we calculate the value of R (using Equation 3.4) as follows (using a
value of 0.3302 for a):
From Table 3.1 the only BCC metal that has this atomic radius is tantalum.
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Noncrystalline Solids
3.72 Would you expect a material in which the atomic bonding is predominantly ionic in nature to be more
or less likely to form a noncrystalline solid upon solidification than a covalent material? Why? (See Section 2.6.)
Solution
A material in which atomic bonding is predominantly ionic in nature is less likely to form a noncrystalline
solid upon solidification than a covalent material because covalent bonds are directional whereas ionic bonds are
nondirectional; it is more difficult for the atoms in a covalent material to assume positions giving rise to an ordered
structure.
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FUNDAMENTALS OF ENGINEERING QUESTIONS AND PROBLEMS
3.1FE A hypothetical metal has the BCC crystal structure, a density of 7.24 g/cm3, and an atomic weight of 48.9
g/mol. The atomic radius of this metal is:
(A) 0.122 nm
(C) 0.0997 nm
(B) 1.22 nm
(D) 0.154 nm
Solution
The volume of a BCC unit cell is calculated using Equation 3.4 as follows
Now, using Equation 3.8, we may determine the density as follows:
And, from this expression, solving for R, leads to
Since there are two atoms per unit cell (n = 2) and incorporating values for the density (๏ฒ) and atomic weight (A)
provided in the problem statement, we calculate the value of R as follows:
= 1.22 ๏ด 10โ8 cm = 0.122 nm
which is answer A.
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3.2FE In the following unit cell, which vector represents the [121] direction?
Solution
In order to solve this problem, let us take the position of the [121] direction vector as the origin of the
coordinate system, and then, using Equations 3.10a, 3.10b, and 3.10c, determine the head coordinates of the vector.
The vector in the illustration that coincides with this vector or is parallel to it corresponds to the [121] direction.
Using this scheme, vector tail coordinates are as follows:
x1 = 0a
y1 = 0b
z1 = 0c
For this direction, values of the u, v, and w indices are as follows:
u=1
v=2
w =1
Now, assuming a value of 1 for the parameter n, values of the head coordinates (x2, y2 , and z2) are determined
(using Equations 3.10) as follows:
If we now divide these three head coordinates by a factor of 2, it is possible, in a stepwise manner, locate the
location of the vector head as follows: move a/2 units along the x axis, then b units parallel to the y axis, and from
here c/2 units parallel to the z axis. The vector from the origin to this point corresponds to B.
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3.3FE What are the Miller indices for the plane shown in the following cubic unit cell?
(C) (10 12 )
(A) (201)
(
(B) 1 โ 12
)
(D) (102)
Solution
The Miller indices for this direction may be determined using Equations 3.13a, 3.13b, and 3.13c. However,
it is first necessary to note intersections of this plane with the x, y, and z coordinate axes. These respective intercepts
are a, ๏ฅa (since the plane is parallel to the y axis), and a/2; that is
A=a
B = ๏ฅa
C = a/2
Thus, using Equations 3.13, values of the h, k, and l indices (assuming that n = 1) are as follows:
Therefore this is a (102) plane, which means that D is the correct answer.
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