Essentials of Materials Science and Engineering, 4e Askeland/Wright

Chapter 3

Atomic and Ionic

Arrangements

© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a

publicly accessible website, in whole or in part. 1
Essentials of Materials Science and Engineering, 4e Askeland/Wright

Chapter Learning Objectives

— Visualize atomic arrangements and define inter-
atom spatial relationships in FCC, BCC & HCP
crystal structures.
— Visualize atomic arrangements in other crystal
structures if given relevant parameters.
— Calculate properties of crystalline materials
based on crystal structure.
— Identify close-packed planes and directions in a
crystal structure.
— Identify & use Miller indices for directions and
planes in a crystal coordinate system.
© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
2
 Essentials of Materials Science and Engineering, 4e Askeland/Wright

Chapter Outline
Sections
— 3-1 Short- vs. Long-Range Order
— 3-2 Amorphous Materials
— 3-3 Lattice, Basis, Unit Cells & Crystal Structures
— 3-4 Allotropic or Polymorphic Transformations
— 3-5 Points, Directions & Planes in the Unit Cell
— 3-6 Interstitial Sites
— 3-7 Crystal Structures of Ionic Materials
— 3-8 Covalent Structures
— 3-9 Diffraction Techniques for Crystal Structure
Analysis
© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
3
Essentials of Materials Science and Engineering, 4e Askeland/Wright

ENERGY AND PACKING

• Non dense, random packing

• Dense, regular packing

Dense, regular-packed structures tend to have

lower energy.
2
Essentials of Materials Science and Engineering, 4e Askeland/Wright

3-1 Short- vs. Long-Range Order

— In different states of matter, we can find various
levels of order.

© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
5
Essentials of Materials Science and Engineering, 4e Askeland/Wright

3-1 Short- vs. Long-Range Order

— No order: Monoatomic gases

— Short-Range Order (SRO): If order extends only

to nearest neighboring particles e.g., in water
molecules (hydrogen bonding), polymers.

— Long-Range Order (LRO): Materials with a crystal

structure fall in the LRO category. Crystalline
materials may consist of either:
— A single crystal
— Many misaligned crystals, called grains – these
materials are called polycrystalline.
© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
6
Essentials of Materials Science and Engineering, 4e Askeland/Wright

3-1 Short- vs. Long-Range Order

— Many engineering materials are polycrystalline,

e.g., steels.

— Liquid crystals have a special type of order. They

exhibit different levels of ordering in different
states induced by external stimuli.
© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
7
Essentials of Materials Science and Engineering, 4e Askeland/Wright

CRYSTALLINE MATERIAL

— One in which atoms (or

ions) are situated in a
repeating or periodic
array over large atomic
distance
• atoms pack in periodic,
3D arrays
crystalline SiO2 • typical of:
-metals
-many ceramics
-some polymers

4
Essentials of Materials Science and Engineering, 4e Askeland/Wright

NONCRYSTALLINE MATERIAL

— atoms have no
periodic packing
— amorphous
• occurs for:
-complex structures
-rapid cooling

Noncrystalline SiO2

5
Essentials of Materials Science and Engineering, 4e Askeland/Wright

METALLIC CRYSTALS
• tend to be densely packed.

• have several reasons for dense packing:

-Typically, only one element is present, so all atomic

radii are the same.
-Metallic bonding is not directional.
-Nearest neighbor distances tend to be small in
order to lower bond energy.
• have the simplest crystal structures.
Essentials of Materials Science and Engineering, 4e Askeland/Wright

3-2 Amorphous Materials

— Any solid exhibiting only SRO of atoms/ions is an
amorphous material.

— In general, amorphous materials form when the

process kinetics prevented the material from
reaching its LRO equilibrium state.

— Glasses typically form in polymer & ceramic

systems.

— Metallic glasses, possessing interesting

properties, may be formed by rapidly cooling
metals/alloys to prevent crystallization.
© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
11
Essentials of Materials Science and Engineering, 4e Askeland/Wright

3-3 Lattice, Basis, Unit Cells & Crystal Structure

— To describe the 3-D spatial arrangement of
atoms/ions in a solid, we use the concept of
crystal structure, lattice and basis.

— Crystal structure = lattice + basis.

— A lattice is a collection of points arranged in a

periodic pattern, such that each lattice point’s
surroundings are identical.

— A basis is a group of 1 or more atoms arranged

in a particular way with respect to each other
and associated with each lattice point.
© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
12
Essentials of Materials Science and Engineering, 4e Askeland/Wright

3-3 Lattice, Basis, Unit Cells & Crystal Structure

— There are 14 unique ways to arrange points in
3D space. There are called the Bravais lattices.

© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
13
Essentials of Materials Science and Engineering, 4e Askeland/Wright

3-3 Lattice, Basis, Unit Cells & Crystal Structure

— Although there are 14 Bravais lattices, there can
be infinite bases associated with them.

— There are 7 crystal systems associated with the

Bravais lattices: cubic, tetragonal, hexagonal,
orthorhombic, rhombohedral, monoclinic &
triclinic.

— A unit cell is a subdivision of the lattice that still

captures the overall lattice characteristics.

© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
14
Essentials of Materials Science and Engineering, 4e Askeland/Wright

3-3 Lattice, Basis, Unit Cells & Crystal Structure

— The lattice parameters (axial lengths) and
interaxial angles are used to classify unit cells for
each of the 7 crystal systems.

© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
15
Essentials of Materials Science and Engineering, 4e Askeland/Wright

3-3 Lattice, Basis, Unit Cells & Crystal Structure

© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
16
Essentials of Materials Science and Engineering, 4e Askeland/Wright

3-3 Lattice, Basis, Unit Cells & Crystal Structure

— The number of atoms per unit cell depends on
the number of atoms on corners, faces,
enclosed, etc.

© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
17
Essentials of Materials Science and Engineering, 4e Askeland/Wright

3-3 Lattice, Basis, Unit Cells & Crystal Structure

— Directions within the unit cell in which the atoms
are in continuous contact are called close-packed
directions.

— We can define a lattice parameter a0 which

relates the dimensions of the unit cell to the size
of the atoms, using close-packed directions.

© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
18
Essentials of Materials Science and Engineering, 4e Askeland/Wright

3-3 Lattice, Basis, Unit Cells & Crystal Structure

— The coordination number is the number of atoms
touching a given atom, or the number of its
nearest neighbors.

— The packing factor is the fraction of space

occupied by atoms (modeled as hard spheres)
within the unit cell.

Packing factor =
( # of atoms/cell )( volume of each atom )
volume of unit cell

© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
19
Essentials of Materials Science and Engineering, 4e Askeland/Wright

3-3 Lattice, Basis, Unit Cells & Crystal Structure

— The theoretical density of a material may be
found via

Density r =
( # of atoms/cell )( atomic mass )
( volume of unit cell )( Avogadro number )

— The hexagonal close-packed (HCP) structure:

© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
20
Essentials of Materials Science and Engineering, 4e Askeland/Wright

3-3 Lattice, Basis, Unit Cells & Crystal Structure

© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
21
Essentials of Materials Science and Engineering, 4e Askeland/Wright

1. SIMPLE CUBIC STRUCTURE

• Rare due to poor packing (only Po has this structure)
(SC)
• Close-packed directions are cube edges.

• Coordination # = 6
(# nearest neighbors)

(Courtesy P.M. Anderson)

8
Essentials of Materials Science and Engineering, 4e Askeland/Wright

ATOMIC PACKING FACTOR

— It is a fraction of a unit cell that is occupied by
“hard sphere” atom.

9
Essentials of Materials Science and Engineering, 4e Askeland/Wright

ATOMIC PACKING FACTOR

• APF for a simple cubic structure = 0.52

Adapted from Fig. 3.19,

Callister 6e.

10
Essentials of Materials Science and Engineering, 4e Askeland/Wright

2. BODY CENTERED CUBIC

STRUCTURE (BCC)
• Close packed directions are cube diagonals.
--Note: All atoms are identical; the center atom is shaded
differently only for ease of viewing.

• Coordination # = 8

Adapted from Fig. 3.2,

Callister 6e.

(Courtesy P.M. Anderson) 11

Essentials of Materials Science and Engineering, 4e Askeland/Wright

ATOMIC PACKING FACTOR: BCC

• APF for a body-centered cubic structure = 0.68

Unit cell contains:

1 + 8 x 1/8
= 2 atoms/unit cell
R
Adapted from a
Fig. 3.2,
Callister 6e.

12
Essentials of Materials Science and Engineering, 4e Askeland/Wright

3. FACE CENTERED CUBIC

STRUCTURE (FCC)
• Close packed directions are face diagonals.
--Note: All atoms are identical; the face-centered atoms are shaded
differently only for ease of viewing.

• Coordination # = 12

Adapted from Fig. 3.1(a),

Callister 6e.

(Courtesy P.M. Anderson)

15
Essentials of Materials Science and Engineering, 4e Askeland/Wright

ATOMIC PACKING FACTOR: FCC

• APF for a body-centered cubic structure = 0.74

Unit cell contains:

6 x 1/2 + 8 x 1/8
= 4 atoms/unit cell
a
Adapted from
Fig. 3.1(a),
Callister 6e.

18
Essentials of Materials Science and Engineering, 4e Askeland/Wright

FCC STACKING SEQUENCE

• ABCABC... Stacking Sequence
• 2D Projection
A
B B
C
A
A sites B B B
C C
B sites B B
C sites

• FCC Unit Cell

20
Essentials of Materials Science and Engineering, 4e Askeland/Wright

4. HEXAGONAL CLOSE-PACKED
STRUCTURE (HCP)
• ABAB... Stacking Sequence

• 3D Projection • 2D Projection

A sites

B sites

A sites
Adapted from Fig. 3.3,
Callister 6e.

• Coordination # = 12

• APF = 0.74

21
Essentials of Materials Science and Engineering, 4e Askeland/Wright

THEORETICAL DENSITY, r

23
Essentials of Materials Science and Engineering, 4e Askeland/Wright

Characteristics of Selected
Density Elements at 20C
Atomic radius
At. Weight
Element Symbol (amu) (g/cm3) (nm)
Aluminum Al 26.98 2.71 0.143
Argon Ar 39.95 ------ ------
Barium Ba 137.33 3.5 0.217
Beryllium Be 9.012 1.85 0.114
Boron B 10.81 2.34 ------ Adapted from
Table, "Charac-
Bromine Br 79.90 ------ ------ teristics of
Cadmium Cd 112.41 8.65 0.149 Selected
Elements",
Calcium Ca 40.08 1.55 0.197 inside front
Carbon C 12.011 2.25 0.071 cover,
1.87 Callister 6e.
Cesium Cs 132.91 0.265
Chlorine Cl 35.45 ------ ------
Chromium Cr 52.00 7.19 0.125
Cobalt Co 58.93 8.9 0.125
Copper Cu 63.55 8.94 0.128
Flourine F 19.00 ------ ------
Gallium Ga 69.72 5.90 0.122
Germanium Ge 72.59 5.32 0.122
Gold Au 196.97 19.32 0.144
Helium He 4.003 ------ ------
Hydrogen H 1.008 ------ ------ 26
Essentials of Materials Science and Engineering, 4e Askeland/Wright

STRUCTURE OF COMPOUNDS: NaCl

• Compounds: Often have similar close-packed structures.
• Structure of NaCl • Close-packed directions
--along cube edges.

(Courtesy P.M. Anderson) (Courtesy P.M. Anderson)

27
Essentials of Materials Science and Engineering, 4e Askeland/Wright

STRUCTURE OF COMPOUNDS

Structure Name Anion Packing Example

Rock Salt FCC, 4 NaCl, MgO, FeO,

LiF, MnS
Cesium Chloride SC, 1 CsCl

Zinc Blende FCC, 4 ZnS, SiC

Fluoride SC, 1 CaF2, TiO2, FeO

Perouskite FCC, 4 BaTiO4, SrZnO3,

SrSnO3
28
Essentials of Materials Science and Engineering, 4e Askeland/Wright

DENSITIES OF MATERIAL CLASSES

rmetals rceramics rpolymers
Why?
Metals have...
• close-packing
(metallic bonding)
• large atomic mass
Ceramics have...
• less dense packing
(covalent bonding)
• often lighter elements
Polymers have...
• poor packing
(often amorphous)
• lighter elements (C,H,O)
Composites have...
• intermediate values Data from Table B1, Callister 6e.
35
Essentials of Materials Science and Engineering, 4e Askeland/Wright

3-4 Allotropic/Polymorphic Transformations

— Materials with more than one crystal structure
are called allotropic (pure elements) or
polymorphic (compounds).

— At room temperature, iron has BCC structure,

but at higher temperature it changes to FCC.

— Many ceramic materials, such as silica or

zirconia, are polymorphic. The crystal structure
changes upon heating, and dopants are used to
stabilize the material from the volume change
after heating.
© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
36
Essentials of Materials Science and Engineering, 4e Askeland/Wright

3-5 Points, Directions & Planes in the Unit Cell

— We can locate points in the unit cell, e.g., atom
positions, by a right-handed coordinate system.

© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
37
Essentials of Materials Science and Engineering, 4e Askeland/Wright

3-5 Points, Directions & Planes in the Unit Cell

— Certain important directions in the unit cell are
represented by Miller indices. To determine Miller
indices for a direction:
— Identify 2 points in that direction
— Subtract the coordinates of the “tail” point from
the “head” point.
— Clear any fractions to lowest possible integers
— Enclose the numbers in square brackets [], and
replace any negative signs with a bar over the
number.

© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
38
Essentials of Materials Science and Engineering, 4e Askeland/Wright

3-5 Points, Directions & Planes in the Unit Cell

— Several points should be noted about Miller
Indices:
— A direction and its negative are not equal, e.g, [100]
is not equal to éë 100 ùû
— A direction and its multiple are identical
— Certain groups of directions are equivalent

© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
39
Essentials of Materials Science and Engineering, 4e Askeland/Wright

3-5 Points, Directions & Planes in the Unit Cell

— Repeat distance (distance between lattice points
along the direction) is another way to classify
directions.

— Linear density is the reciprocal of repeat distance

— Packing fraction = ( linear density )( 2r )

© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
40
Essentials of Materials Science and Engineering, 4e Askeland/Wright

3-5 Points, Directions & Planes in the Unit Cell

— Certain planes of atom (e.g., close-packed
planes) are also significant. Miller indices can be
used to identify these planes as follows:
— Identify the x,y,z intercepts of the plane in terms
of lattice parameters. If the plane passes through
the origin, the origin must be moved to an
adjacent unit cell.
— Take reciprocal of the intercepts.
— Clear fractions but do not reduce to lowest
integers.
— Enclose resulting numbers in parentheses (), and
use an overbar for negative numbers.

© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
41
Essentials of Materials Science and Engineering, 4e Askeland/Wright

3-5 Points, Directions & Planes in the Unit Cell

— Some things to keep in mind when using Miller
indices for planes:
— Unlike directions, planes and their negatives are
identical.
— Unlike directions, planes and their multiples are
not identical.
— In each unit cell, planes of a family represent
groups of equivalent planes, denoted by {}.
— In cubic systems, a direction is perpendicular to a
plane if both have the same indices.

© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
42
Essentials of Materials Science and Engineering, 4e Askeland/Wright

3-5 Points, Directions & Planes in the Unit Cell

— A special set of Miller-Bravais indices has been
devised for hexagonal unit cells.

— We can use either a 3-axis or a 4-axis system for

the HCP cells.

© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
43
Essentials of Materials Science and Engineering, 4e Askeland/Wright

3-5 Points, Directions & Planes in the Unit Cell

— The interaction of close-packed directions and
planes is important for the mechanical behavior
of materials.

— The Miller indices for close-packed directions and

planes in various crystal systems are

© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
44
Essentials of Materials Science and Engineering, 4e Askeland/Wright

3-5 Points, Directions & Planes in the Unit Cell

— Unit cells can also be considered as being
composed of a stacking of close-packed planes

© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
45
Essentials of Materials Science and Engineering, 4e Askeland/Wright

3-5 Points, Directions & Planes in the Unit Cell

— Material properties can vary with direction. If this
is the case, the material is crystallographically
anisotropic.

— If a material’s properties are identical in all

directions, the material is called isotropic.

— Many polycrystalline materials are effectively

isotropic, because the random orientation of
grains cancels out the anisotropy of individual
grains.

© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
46
Essentials of Materials Science and Engineering, 4e Askeland/Wright

3-5 Points, Directions & Planes in the Unit Cell

— The interplanar distance between 2 adjacent
parallel planes with the same Miller Indices can
be found for cubic materials via
a0
d hkl =
h2 + k 2 + l 2

© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
47
Essentials of Materials Science and Engineering, 4e Askeland/Wright

3-6 Interstitial Sites

— In all crystal structures, there are interstitial

sites between atoms where smaller atoms may
be placed.

— There are different kinds of interstitial sites, such

as cubic, tetrahedral and octahedral

© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
48
Essentials of Materials Science and Engineering, 4e Askeland/Wright

3-6 Interstitial Sites

— Depending on the relative size of the interstitial
atom, it prefers to occupy different types of sites
based on their coordination number.

© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
49
Essentials of Materials Science and Engineering, 4e Askeland/Wright

3-7 Crystal Structure of Ionic Materials

— To consider the crystal structure of ionically
bonded materials, we need to consider the
following factors:
— Ionic Radii: Anions (larger) occupy the lattice
positions, while cations (smaller) occupy interstitial
sites. Ionic radii are not fixed and may vary
between different crystal structures for the same ion
— Electrical Neutrality: The overall material has to be
neutral, so the coordination numbers of the anions
and cations need to be related to their valence
— Anion Polyhedra: As a rule, coordination polyhedra
(formed by anion close-packing) share corners, as
opposed to faces/corners, to reduce electrostatic
repulsion between cations
© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
50
Essentials of Materials Science and Engineering, 4e Askeland/Wright

3-7 Crystal Structure of Ionic Materials

© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
51
Essentials of Materials Science and Engineering, 4e Askeland/Wright

3-7 Crystal Structure of Ionic Materials

© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
52
Essentials of Materials Science and Engineering, 4e Askeland/Wright

3-8 Covalent Structures

— Covalent crystalline structures are frequently
complicated due to the directionality of the
covalent bonds.

© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
53
Essentials of Materials Science and Engineering, 4e Askeland/Wright

3-8 Covalent Structures

© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
54
Essentials of Materials Science and Engineering, 4e Askeland/Wright

3-9 Diffraction Techniques

— A material’s crystal structure can be found by a
technique called X-ray diffraction (XRD).

— X-ray diffraction gives knowledge of the various

crystallographic planes in a powdered sample.
Knowledge of the planes present can then be used
to infer the crystal structure of the material.

— X-ray diffraction is based on Bragg’s Law

l
sin q =
2d hkl
© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
55
Essentials of Materials Science and Engineering, 4e Askeland/Wright

3-9 Diffraction Techniques

© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
56
Essentials of Materials Science and Engineering, 4e Askeland/Wright

3-9 Diffraction Techniques

— XRD samples can be imaged in a short time (30-

60 minutes) and the data analysis is quite
straightforward for a trained technician.
© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
57
Essentials of Materials Science and Engineering, 4e Askeland/Wright

3-9 Diffraction Techniques

— Transmission electron microscopy (TEM) is a
technique which uses high-energy electrons to
image the microstructure of a material.

© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
58
Essentials of Materials Science and Engineering, 4e Askeland/Wright

3-9 Diffraction Techniques

— TEM’s advantages are the high spatial resolution
and the ability to image the microstructure at fine
scales. It is a widely used tool in research of
micro- and nano-technologies.

— Disadvantages of TEM include:

— Time-consuming preparation of samples
— Considerable expertise/time required for data
analysis
— Only a small volume of the sample is examined
— The equipment is expensive and requires great care
to use
© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
59
Essentials of Materials Science and Engineering, 4e Askeland/Wright

Summary

— Atoms/ions can be arranged in solid materials with

either a short- or long-range order.

— Amorphous materials (e.g., silicate/metallic

glasses, polymers, etc.) only have short-range
order.

— Amorphous materials form when the kinetics of the

formation process prohibit atoms/ions to reach
equilibrium properties, and offer novel properties.

© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
60
Essentials of Materials Science and Engineering, 4e Askeland/Wright

Summary

— Crystalline materials (e.g., metals & ceramics)

exhibit both short- & long-range order. The crystal
structure describes the long-range periodicity.

— Atomic/Ionic arrangements of crystalline materials

are described by 7 crystal systems, including 14
Bravais lattices. E.g., cubic, FCC, BCC, hexagonal.

— A lattice is a collection of points organized in a

unique manner. A crystal structure is defined by a
lattice and a basis.

© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
61
Essentials of Materials Science and Engineering, 4e Askeland/Wright

Summary

— There are only 14 Bravais lattices, but 100s of

crystal structures.

— A unit cell is a subdivision (conventionally the

smallest subdivision) of the crystal structure that
still describes the lattice.

— Crystal structures are characterized by the lattice

parameters of the unit cell. Other characteristics
include: the coordination number, the packing
factor & number of atoms/ions per unit cell.

© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
62
Essentials of Materials Science and Engineering, 4e Askeland/Wright

Summary

— Allotropic & polymorphic materials have more than

one possible crystal structure. Material properties
can strongly depend on the allotrope/polymorph.

— For metals with FCC & HCP crystal structures, the

atoms are arranged in a manner that occupies the
greatest possible fraction of space.

— The closest-packing achieved in FCC & HCP

structures is due to stacking different sequences of
close-packed planes of atoms.

© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
63
Essentials of Materials Science and Engineering, 4e Askeland/Wright

Summary

— The greatest achievable packing fraction of uniform

size spheres is 0.74, independent of sphere radius.

— Points, directions & planes within crystal structures

can be formally identified by assigning coordinates
and Miller indices.

— Anisotropic materials are those which have

different properties along different
directions/planes within a crystal.

© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
64
Essentials of Materials Science and Engineering, 4e Askeland/Wright

Summary

— Isotropic crystals have uniform properties along all

directions/planes. Anisotropy may be masked in a
polycrystalline material due to random grain
orientation.

— Interstitial sites (holes between atoms/ions in a

crystal structure) may be filled by other
atoms/ions.

— Crystal structures of ceramic materials can be

understood by considering interstitial site
occupation.
© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
65
Essentials of Materials Science and Engineering, 4e Askeland/Wright

Summary

— Atoms/ions located in interstitial sites play

important roles in: material strengthening,
influencing material physical properties, and
controlling material processing.

— Crystal structures of many ionic materials form by

anion packing. Cations fit into coordination
polyhedra formed by anions. Coordination
polyhedral typically share corners.

— The conditions of charge neutrality and

stoichiometry must also be met for ionic materials.
© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
66
Essentials of Materials Science and Engineering, 4e Askeland/Wright

Summary

— Crystal structures of covalently bonded materials

tend to be open. E.g., diamond cubic (Si, Ge).

— XRD (X-Ray Diffraction) and electron diffraction are

used to determine crystal structures in crystalline
materials.

— TEM (Transmission Electron Microscopy) can be

used for imaging microstructural features of
materials at smaller length scales.

© 2019 Cengage Learning® . May not be scanned, copied or duplicated, or posted to a publicly accessible
website, in whole or in part.
67