Chapter 3.

Structures of Metal & Ceramics

ISSUES TO ADDRESS...
What is the difference in atomic arrangement
between crystalline and noncrystalline solids?
What features of a metals/ceramics atomic
structure determine its density?
How do the crystal structures of ceramic
materials differ from those for metals?
Under what circumstances does a material
property vary with the measurement direction?

Chapter 1 -

Chapter 3. Definitions
Crystalline Material is one in which the atoms are situated in a
repeating (or periodic array) over large atomic distances
3D pattern in which
each atom is bonded to
its nearest-neighbor
atoms
Long-range atomic
order is present
Source: www.geologycafe.com/images/crystalline.jpg

All metals
Many ceramics
Certain polymers

Long-range atomic order is

absent

Inorganic Glasses
Polymers
Chapter 1 - 2

Chapter 3. Definitions
Crystal structure The manner in which atoms, ions, or molecules are spatially
arranged
Metals with simple structures
Ceramics & polymers with complex structures

Atomic hard-sphere model

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Is a model in which atoms are thought of as being solids spheres having a welldefined diameter
The spheres (nearest- neighbor atoms) touch one another

Lattice: 3D array of points coinciding with atoms

positions (or sphere center)

Unit cell (UC): Usually, are parallelepipeds or prisms having 3 sets of parallel faces (e.g. a cube)
UC is chosen to represent the symmetry of the crystal structure
UC is the basic structural unit or building block of the crystal structure
UC define the crystal structure by virtue of its geometry and the atoms
position within

Chapter 1 - 3

Chapter 3. Metallic Crystal Structures

Metallic bondingnondirectional in natureminimal restrictions (# atoms & their positions)
Result: Crystal structures with a large number of nearest neighbors and dense atomic

packings
Ion core

Simple crystal
structures in metals

Face centered cubic (FCC)

Body centered cubic (BCC)
Hexagonal close-packed (HCP)

Chapter 1 -

Chapter 3. Face-centered Cubic (FCC) Crystal Structure

FCC: Unit cell of cubic geometry with atoms located at each of the corners & the
centers of all the cube faces
Examples: Copper, aluminum, silver, and gold

Hard-sphere UC
model

Reduced-sphere
UC model

The spheres touch one another across

a face diagonal

Crystal consisting of many

FCC unit cells

Chapter 1 -

Chapter 3. Face-centered Cubic (FCC) Crystal Structure

How to determine the number of atoms associated with each unit cell?
N = Ni + (Nf/2) + (Nc/8)
Where,
Ni = the # of interior atoms
Nf = the # of face atoms
Nc = the # of corner atoms

NFCC = 0 + (6/2) + (8/8)

=4
1/8 * 8 corners
= 1 atom
* 6 faces = 3 atoms

Chapter 1 -

Chapter 3. Face-centered Cubic (FCC) Crystal Structure

Problem 1. Computation of the APF for FCC

Solution:
Step 1. Determination of the FCC unit cell volume Vc in terms of
the atomic radius R
Step 2. Determination of the total sphere volume Vs
Step 3. Determination of the APF

Pythagoras's theorem
For a right triangle. It states that the square of the
hypotenuse (the side opposite the right angle) is equal
to the sum of the squares of the other two sides.

Vc = a3

a = f(R) Chapter
= ???
1-

Chapter 3. Face-centered Cubic (FCC) Crystal Structure

Chapter 1 -

Chapter 3. Body-centered Cubic (BCC) Crystal Structure

BCC: Unit cell of cubic geometry with atoms located at each of the corners & a single
atom at the cube center
Examples: Chromium, iron, and Tungsten

Center and corner atoms touch one

another along cube diagonals

Coordination # = 8

# atoms/ unit cell= N = Ni + (Nf/2) + (Nc/8)

N=1+0+1=2

Chapter 1 -

Chapter 3. Body-centered Cubic (BCC) Crystal Structure

Problem 3. Computation of the APF for BCC

Solution:

Step 1. Determination of the BCC unit cell volume Vc in terms of

the atomic radius R
Step 2. Determination of the total sphere volume Vs
Step 3. Determination of the APF

Pythagoras's theorem
For a right triangle. It states that the square of the
hypotenuse (the side opposite the right angle) is equal
to the sum of the squares of the other two sides.

Chapter 1 -

x
a

Chapter 1 - 11

Chapter 3. Hexagonal Close-Packed (HCP) Crystal Structure

HCP: The top and bottom faces of the unit cell consist of 6 atoms that form regular
hexagons and surround a single atom in the center. Another plane (between the top and
bottom) provides 3 additional atoms
Examples: Zinc, Titanium, Cobalt, Cadmium

Coordination # = 12

c/a = 1.633

# atoms/ unit cell = N = Ni + (Nf/2) + (Nc/6)

N = 3 + (2/2) + (12/6)
N=6

APF = 0.74
Chapter 1 -

Chapter 3. Hexagonal Close-Packed (HCP) Crystal Structure

# atoms/ unit cell = N = 6

Vc = Area of the base x c

a
a

Area of the base = 3 x (2R x BC)

Chapter 1 - 13

Chapter 3. Hexagonal Close-Packed (HCP) Crystal Structure

Problem 4. Computation of the APF for HCP
A

Vc =33.94R3

Chapter14
1-

Chapter 3. Face-centered Cubic (FCC) Crystal Structure

Density Computation Metals

where,
n = Number of atoms associated with each unit cell
A = Atomic weight
Vc = Volume of the unit cell
NA = Avogadros number (6.022 x 1023 atoms/mol)

Problem 2. Compute the theoretical density (g/cm3) of copper if

ACu = 63.5 g/mol
RCu = 0.128 nm
Cu has a FCC crystal structure = 4 atoms/ unit cell
Literature value for the density of Cu is 8.94 g/cm3
Chapter 1 -

Chapter 3. Density Computation Metals

Chapter 1 -

Chapter 3. Ceramic Crystal Structures

Atomic Bonding in Ceramics
Can be ionic and/or covalent in character
% ionic character increases with difference in electronegativity of atoms

Adapted from Fig. 2.7, Callister & Rethwisch 4e. (Fig. 2.7 is adapted from Linus Pauling, The Nature of the Chemical Bond,
3rd edition. Copyright 1939 and 1940, 3rd edition copyright 1960 by Cornell University.

Chapter 1 -

17

Chapter 3. Ceramic Crystal Structures

Factors that Determine Crystal Structure
1. Relative sizes of ions Formation of stable structures
-- Maximize the # of oppositely charged ion neighbors

Chapter 1 -

Chapter 3. Ceramic Crystal Structures

Coordination Number and Ionic Radii
r
Coordination Number increases with

cation

r anion

To form a stable structure, how many anions can surround around a cation?
Source: www.uwgb.edu

ZnS

NaCl
NaCl
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Chapter 1 -

Chapter 3. Ceramic Crystal Structures

Ceramic Crystal Structure Prediction
Example.
On the basic of ionic radii, what crystal structure do you predict for FeO?

Octahedral coordination geometry Rock salt NaCl

Chapter 1 -

Chapter 3. Ceramic Crystal Structures

AX-type Crystal Structures
Anion
Cation

Rock Salt (e.g.NaCl)

# Cations = # Anions
AX Compounds

Cesium Chloride
Zinc Blende

1. Rock Salt Structure

The coordination number is the

same for Na+ and ClC.#. = 6
So, rC/rA = 0.414 0.732
Coordination geometry:
Octahedral

Unit Cell
FCC arrangement of anions (4 Cl-)
Cube center is a single cation (1 Na+1)
One cation at the center of each of the 12
cubes edges (12*1/4) = 3 Na+1
Total = 4 anions (Cl-1) + 4 cations (Na+1)

Examples:
NaCl, MgO, MnS, LiF and FeO

FCC crystal structure for Na+ and Cl-

Interchange of anions with cations and vice verse, produce

de same crystal structure

Chapter 1 -

Chapter 3. Ceramic Crystal Structures

2. Cesium Chloride Structure (CsCl)

The coordination number is the

same for Cs+ and ClC.#. = 8
Coordination Geometry: Cubic

AX-type Crystal Structures

Interchange of anions with
cations and vice verse,
produce de same crystal
structure
This is NOT a BCC because
ions of two different elements
are involved

Unit Cell

Anions are located at each of the corners of a cube

Cube center is a single cation

Chapter 1 -

Chapter 3. Ceramic Crystal Structures

3. Zinc Blende Structure (ZnS)

AX-type Crystal Structures

Unit Cell

The coordination number is

the same for Cs+ and ClC.#. = 4
Coordination Geometry:
Tetrahedral

All corner and face positions of the

cubic cell are occupied by S atoms
The Zn atoms fill interior tetrahedral
positions
Each Zn atom is bonded to 4 S
atoms
Equivalent structure is obtained if Zn
and S atom positions are reversed

Examples:
ZnS, ZnTe, and SiC

Chapter 1 -

Chapter 3. Ceramic Crystal Structures

AmXp-type Crystal Structures (m and/or p 1)
Anion
Cation

ZrO2 (cubic)

Example:
AX2 Compounds

UO2

PuO2 and ThO2

1. Fluorite (CaF2)

The coordination number for

Cations is:
C.#. = 8
So, rC/rA = 0.8
Coordination geometry:
Cubic

One unit cell = 8 cubes

Unit Cell
F- are located at the corners of
the cubes
Cube center is a single cation
One cation at the center of each
edge.
Similar to the CsCl structure,
but in this case only half of the
center cube positions are
occupied by Ca2+ because the
ratio Ca2+/F- is 1/2

1 cube = 1/8 *8 =1 anion (F-) per cube, 8 cubes = 8 anions (F-)

4 cations (Ca2+)

Chapter 1 -

Chapter 3. Ceramic Crystal Structures

AmBnXp- type Crystal Structures
Anion
Cations

Example:
Barium Titanate BaTiO3

Ba2+
Ti4+
O32-

Unit Cell
Ba cations are situated at all
eight corners of the cube
A single Ti cation is at the cube
center

Oxygen anions are located at

the center of each of the six
faces

Chapter 1 -

Chapter 3. Ceramic Crystal Structures

Density Computation Ceramics
6.022x1023 formula units/mol

Problem 5.
On the basic of the crystal structure, compute the theoretical density for sodium
chloride. How does this compare with its measured density?

= 2.16 g/cm3
Chapter 1 -

Chapter 3. Ceramic Crystal Structures

Solution:
6.022x1023 formula units/mol

4(Na+1) + 4(Cl-1) = 4NaCl

4 formula unit in a unit cell
n = 4

Chapter 1 -

Chapter 3. Ceramic Crystal Structures

Solution:

Chapter 1 -

Chapter 3. Ceramic Crystal Structures

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Tetrahedron

3D network where the

corner oxygen atoms in
each tetrahedron are share
by adjacent tetrahedra
Ordered structures like
quartz, crystobalite &
tridymite
Atoms are not closely
packed together = low
density

Chapter 1 -

Chapter 3. Carbon

Zinc Blende Structure (ZnS)

Chapter 1 - 30

Chapter 3. Carbon
Somethimes is classified as a ceramic

Chapter 1 - 31

Chapter 3. Carbon

Chapter 1 - 32

Chapter 3. Ceramic Crystal Structures

Chapter 1 -

Chapter 3. Isotropy & Anisotropy

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Anisotropy
being

is the property of
directionally dependent, as

opposed to Isotropy, which implies

identical properties in all directions
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Stiffness with respect to tension is

maximal for axial forces and minimal for
perpendicular forces

Chapter 1 -

Chapter 3. Single Crystals & Polycrystalline Materials

For a crystalline solid, when the periodic and repeated arrangement of atoms is perfect
or extends throughout the entirely of the material without interruption, the results is a

single crystal
Most crystalline solids are composed of a collection of many small crystals or grains
such materials are called polycrystalline
There are some atomic mismatch within the region where two grains meet, this area is
called a grain boundary

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Chapter 1 -

Chapter 3. Crystal Systems

Representation of a crystal system:

xyz coordinate system is define with the origin at one of the
unit cell corners
Each of the x,y, and z axes coincides with one of the three
parallelepiped edges
Unit cell is defined in terms of six parameters:

- 3 edges lengths: a,b,and c (lattice parameters)

- 3 interaxial angles: , , and
Chapter 1 - 36

Chapter 3. Crystal Systems

7 crystal systems (14 crystal lattices)

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Chapter 1 - 37

Chapter 3. Point Coordinates

Position of a point located
within a unit cell

Coordinates

Fractional multiples of the

unit cell lengths
a,b, and c

Point coordinates for unit cell center are:

a/2, b/2, c/2

b
Problem 6. Specify point coordinates for all atom
positions for a BCC unit cell

Chapter 1 - 38

Chapter 3. Point Coordinates

Problem 6. Specify point coordinates for all atom positions for a BCC unit cell

Chapter 1 - 39

Chapter 3. Crystallographic Directions

-1a, 1b, 1c

1a, 0b, 1/2c

[ 201 ]

Algorithm
to
determine
directional indices:

the

three

1. Vector repositioned (if necessary) to pass

through origin.
2. Read off projections in terms of
unit cell dimensions a, b, and c
3. Adjust to smallest integer values
4. Enclose in square brackets, no commas
[uvw]

Important: Directions in cubic crystal systems having the same indices without regard to order
or sign, for example [123] and [213] are equivalents.
Example of equivalent directions: [100], [100], [010], [010], [001], and [001]

Family <100>

Chapter 1 -

Chapter 3. Drawing HPC Crystallographic Directions

Draw the direction [1 2 13] in a hexagonal unit cell

Algorithm (Miller-Bravais coordinates)

1. Remove brackets
2. Divide by largest integer so all values
are 1
3. Multiply terms by appropriate unit cell
dimension a (for a1, a2, and a3 axes)
or c (for z-axis) to produce
projections
4. Construct vector by stepping off
these projections

Adapted from Figure 3.25,

Callister & Rethwisch 4e.
Chapter 1 -

Chapter 3. Drawing HPC Crystallographic Directions

Draw the direction [1 2 13] in a hexagonal unit cell
a2

1/3a

a3

a1
Adapted from Figure 3.25,
Callister & Rethwisch 4e.

Chapter 1 -

Chapter 3. Drawing HPC Crystallographic Directions

Draw the [1 2 13] direction in a hexagonal unit cell.

Chapter 1 -

Chapter 3. Determination of HPC Crystallographic Direction

Chapter 1 -

Chapter 3. Determination of HPC Crystallographic Direction

Chapter 1 -

Chapter 3. Determination of HPC Crystallographic Direction

Problem 7. Determine the directional indices (four-index system) for the
direction shown in the figure.

Chapter 1 -

Chapter 3. Determination of HPC Crystallographic Direction

Problem 7. Determine the directional indices (four-index system) for the
direction shown in the figure.

*
*
*

Chapter 1 -

Chapter 3. Crystallographic Planes

In all but hexagonal crystal systems, crystallographic planes are specified by three
Miller indices as (hkl)
Miller Indices (M.I.): Reciprocals of the (three) axial intercepts for a plane, cleared of
fractions & common multiples. All parallel planes have same Miller indices

Algorithm to determine M.I.

1. Read off intercepts of plane with
axes in terms of a, b, c
2. Take reciprocals of intercepts
3. Reduce to smallest integer values
4. Enclose in parentheses, no
commas i.e., (hkl)

Chapter 1 -

Chapter 3. Crystallographic Planes

Problem 8a. Determine the Miller indices for the plane shown in the figures

z
1.
2.

Intercepts
Reciprocals

3.

Reduction

a
1
1/1
1
1

4.

Miller Indices

(110)

b
1
1/1
1
1

1/
0
0

1/
0
0

1/
0
0

Intercepts
Reciprocals

3.

Reduction

1/2
1/
2
2

4.

Miller Indices

(100)

y
b

a
x

a
1.
2.

z
c
y

a
x

b
Chapter 1 -

Chapter 3. Crystallographic Planes

Problem 8. Determine the Miller indices for the plane shown in the figures

x
y

Chapter 1 -

Chapter 3. Crystallographic Planes

Problem 8. Determine the Miller indices for the plane shown in the figures

z
1/0 = Undefined

0
0

x
Inverse

-1

-1

_
(1 1 1)

-1
Chapter 1 -

Chapter 3. Crystallographic Planes

Problem 8. Determine the Miller indices for the plane shown in the figures

3/4

1/2

Chapter 1 -

Chapter 3. Crystallographic Planes

Problem 8. Determine the Miller indices for the plane shown in the figures

3/4

1/2

Important: planes in in cubic crystal systems having the same

indices without regard to order or sign, for example [123] and [213]
are equivalents and belong to the family {123}
Chapter 1 -

Chapter 3. Crystallographic Planes

Problem 8. Determine the Miller indices for the plane shown in the figures

In hexagonal unit cells the same idea is used

z

1.
2.
3.

Intercepts
Reciprocals
Reduction

a1
1
1
1
1

a2

1/
0
0

a3
-1
-1
-1
-1

c
1
1
1
1

a2

a3

4.

Miller-Bravais Indices

(1011)

a1
Adapted from Fig. 3.24(b),
Callister & Rethwisch 4e.

Chapter 1 -

Chapter 3. Atomic Arrangements

BCC unit cell with the (110) plane and its
corresponding atomic packing

Chapter 1 -

Chapter 3. Atomic Arrangements

FCC unit cell with the (110) plane and its
corresponding atomic packing

Chapter 1 -

Chapter 3. Linear and Planar Densities

Problem 9. Calculate the linear density of a FCC unit cell in the direction [110]

Chapter 1 -

Chapter 3. Linear and Planar Densities

Problem 9. Calculate the linear density of a FCC unit cell in the direction [111]

z
2R = 1Diameter = 1atom

a
Chapter 1 -

Chapter 3. Linear and Planar Densities

Problem 9. Calculate the linear density of a FCC unit cell in the direction [100]

2R = 1Diameter = 1atom

a
Chapter 1 -

Chapter 3. Linear and Planar Densities

Problem 10. Compute and compare linear density values for these same two
directions for silver (FCC)
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

LD 100 (Ag)

1
1

2.46 nm1 2.46 10 9 m1

2 R 2 (2)(0.144 nm) 2

While for the [111] direction

LD 111(Ag)

1
1

1.42 nm1 1.42 10 9 m1

2 R 6 (2)(0.144 nm) 6

Chapter 1 - 60

Chapter 3. Linear and Planar Densities

Calculate the planar density of iron at 912C in the (100)
plane

Chapter 1 -

Chapter 3. X-ray Diffraction: Determination of crystal structures

Diffraction This phenomenon occurs when a wave encounters a series of regularly
spaced obstacles that:
Are capable of scattering the wave
And have a spacing that is comparable in magnitude to the wave length
crest

Constructive
interference

Trough

Destructive
interference

Chapter 1 -

Chapter 3. X-ray Diffraction: Determination of crystal structures

Condition:
Constructive interference occurs
only if the path length difference
between 1-P-1 and 2-Q-2 is equal
to a whole number (n), of
wavelengths;
SQ + QT = n

The magnitude of the distance between 2

adjacent and parallel planes of atoms is
function of the Miller indices (h, k and l) as
well as the lattice parameter(s). For a crystal
structure with cubic symmetry, we have:

Sin

dSin

Sin

Sin
dSin

dSin + dSin = n
2dSin = n

Braggs law
Chapter 1 -

Chapter 3. X-ray Diffraction: Determination of crystal structures

How to determine the grain orientations

in a sample?
X-ray powder diffraction (XRD) is a rapid analytical technique primarily
used for phase identification of a crystalline material and can provide
information on unit cell dimensions

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Chapter 1 - 64

Chapter 3. X-ray Diffraction: Determination of crystal structures

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Rules for determining the diffracting {hkl} planes in cubic crystals

Reflection Present

BCC

(h+k+l) = even

FCC

(h,k,l) all odd or all even

[h2 + k2 + l2]

{hkl}

FCC

BCC

{100}

***

***

{110}

***

110

{111}

111

***

{200}

200

200

{210}

***

***

{211}

***

211
Chapter 1 - 66

Chapter 3. X-ray Diffraction: Determination of crystal structures

BCC cubic crystal structure

Chapter 1 - 67

Chapter 1 -

Identifying Materials Using the XRD Patterns

A
B

1st

2nd

2dSin =

For FCC = 3/4 = 0.75

For BCC = 2/4 = 0.5
Chapter 1 - 69

Problem 12.

An element with cubic structure shows diffraction peaks at the 2

angles presented in the table below. The wavelength of X-rays used was = 0.154 nm.
(a) determine if this material has a FCC or BCC crystal structure and (b) determine the
lattice constant a using the first set of planes (c) can you identify the element?

Sol:

()

(rad)

40

20

58
73
86.8
100.4

29
36.5
43.4
50.2

0.349066
A
0.506145
B

Sen2

Sen

1st
0.484812nd
0.23504

0.34202 0.116978

A
B

0.637045 0.594823 0.353814

0.757473 0.687088 0.472089
0.876155 0.768284 0.59026

a) First and second angles:

BCC
***

b)

110

1st plane

***

a = 0.316 nm = 3.16 A For FCC200

= 3/4 = 0.75
***

For BCC211= 2/4 = 0.5

c) The element is W (Tungsten)

Chapter 1 -

Problem 12.

An element with cubic structure shows diffraction peaks at the 2

angles presented in the table below. The wavelength of X-rays used was = 0.154 nm.
(a) determine if this material has a FCC or BCC crystal structure and (b) determine the
lattice constant a using the first set of planes (c) can you identify the element?

Sol:

()

40

20

58
73
86.8
100.4

29
36.5
43.4
50.2

(rad)

Sin
Sen

Sin
Sen22

0.349066 0.34202 0.116978

0.506145
0.637045
0.757473
0.876155

0.48481
0.594823
0.687088
0.768284

0.23504
0.353814
0.472089
0.59026

A
B

a) First and second angles:

BCC
***

b)

110

a = 0.316 nm = 3.16 A

1st plane

***
200
***
211

c) The element is W (Tungsten)

Chapter 1 -

Chapter 1 -

QUIZ

Chapter 1 -

Problem 13.

An element with cubic structure shows diffraction peaks at the 2 angles

presented in the table below. The wavelength of X-rays used was = 1.54 A. (a) determine if this
material has a FCC or BCC crystal structure and (b) determine the average lattice constant a. (c)
Can you identify the element?

BCC

FCC
2

40.42

46.79

2
2
3
2
4
3
4
4
5

0
2
1
2
0
3
2
2
1

0
0
1
2
0
1
0
2
1

2
2
2
3
2
3
4

0
1
2
1
2
2
0

0
1
0
0
2
1
0

82.35
86.91
105.14
119.88

(rad)

Sin

Sin2

68.42

()

124.6
154.35

180

Chapter 1 -

Problem 13.

An element with cubic structure shows diffraction peaks at the 2 angles

presented in the table below. The wavelength of X-rays used was = 0.154 nm A. (a) determine if
this material has a FCC or BCC crystal structure and (b) determine the average lattice constant a.
(c) Can you identify the element?

a)

(rad)

Sin

Sin2

()

40.42

20.21

0.352731 0.345462 0.119344

46.79
68.42
82.35
86.91
105.14
119.88
124.6
154.35
180

23.395
34.21
41.175
43.455
52.57
59.94
62.3
77.175
90

0.40832
0.597077
0.718639
0.758433
0.91752
1.04615
1.08734
1.346958
1.570796

0.397068
0.562228
0.658361
0.687785
0.794096
0.865501
0.885394
0.975053
1

0.157663
0.3161
0.433439
0.473048
0.630589
0.749093
0.783922
0.950728
1

(Sin2)A/(Sin2)B = 0.756957 FCC

Chapter 1 -

Problem 13.

An element with cubic structure shows diffraction peaks at the 2 angles

presented in the table below. The wavelength of X-rays used was = 0.154 nm A. (a) determine if
this material has a FCC or BCC crystal structure and (b) determine the average lattice constant a
(c) determine de interplanar spacing for each set of planes and (d) Can you identify the element?

()

40.42

20.21

46.79
68.42
82.35
86.91
105.14
119.88
124.6
154.35
180

23.395
34.21
41.175
43.455
52.57
59.94
62.3
77.175
90

(rad)

Sin

Sin2

a (nm)

d (nm)

0.352731 0.345462 0.119344

0.386056688

0.22289

0.40832
0.597077
0.718639
0.758433
0.91752
1.04615
1.08734
1.346958
1.570796

2
2
3
2
4
3
4
4
5

0
2
1
2
0
3
2
2
1

0
0
1
2
0
1
0
2
1

0.387843084
0.387367752
0.387902795
0.387818807
0.387862185
0.38779284
0.388928109
0.386872896
0.400103737

0.193922
0.136955
0.116957
0.111954
0.096966
0.088966
0.086967
0.07897
0.077

0.397068
0.562228
0.658361
0.687785
0.794096
0.865501
0.885394
0.975053
1

0.157663
0.3161
0.433439
0.473048
0.630589
0.749093
0.783922
0.950728
1

Average

a = 0.3874752 nm
o

3.874752183 A

Pd
Chapter 1 -

Problem 14.

An element with FCC cubic structure exhibits an average lattice constant value of
3.6077 A. The wavelength of X-rays used was = 1.54 A. (a) Determine the corresponding
interplanar spacing and the 2 angle for each set of planes. (b) draw the diffractogram assuming
that the peak intensity decreases with the angle 2.
2

()

Sin

a
3.6077
3.6077
3.6077
3.6077
3.6077
3.6077

Chapter 1 -

Problem 14.

An element with FCC cubic structure exhibits an average lattice constant value of
3.6077 A. The wavelength of X-rays used was = 1.54 A. (a) Determine the corresponding
interplanar spacing and the 2 angle for each set of planes. (b) draw the diffractogram assuming
that the peak intensity decreases with the angle 2.
2

()

(rad)

Sin

3.6077

3.6077

3.6077

3.6077

3.6077

3.6077

Chapter 1 -

Problem 14.

An element with FCC cubic structure exhibits an average lattice constant value of
3.6077 A. The wavelength of X-rays used was = 1.54 A. (a) Determine the corresponding
interplanar spacing and the 2 angle for each set of planes. (b) draw the diffractogram assuming
that the peak intensity decreases with the angle 2.

Sin

Chapter 1 -

Chapter 1 - 81

Chapter 1 - 82

Problem 1.
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.

Chapter 1 - 83

Problem 2.
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.

Chapter 1 - 84

Problem 3.
Which of the cations in Table 3.4 (textbook) would you predict to form iodides
having the cesium chloride crystal structure? Justify your choices.

*
*
*

Chapter 1 - 85

Problem 4.
The unit cell for Cr2O3 has hexagonal symmetry with lattice parameters a = 0.4961 nm
and c = 1.360 nm. If the density of this material is 5.22 g/cm3, calculate its atomic
packing factor. For this computation assume ionic radii of 0.062 nm and 0.140 nm,
respectively for Cr3+ and O2-.

Chapter 1 - 86

Chapter 1 - 87