8/2/2021

IE 223: Materials Science

Dr. Rula Allaf

Associate Professor of Industrial Engineering

Chapter 3: The Structure of Crystalline Solids

ISSUES TO ADDRESS...

• How do atoms assemble into solid structures?

(for now, focus on metals)

• How to identify points, directions, and planes in

a crystal structure

• How does the density of a material depend on

its structure?

• When do material properties vary with the

sample (i.e., part) orientation?

1
 8/2/2021

Introduction
• The structure of a material usually relates to
the arrangement of its internal component.
– Levels: subatomic (chapter 2), atomic (chapter 3),
microscopic, macroscopic.
• Some of the properties of materials are
directly related to their degree of crystallinity
and crystal structure.
– Significant property differences exist between
crystalline and noncrystalline materials having the
same composition.

Fundamental Concepts
Solid materials can be classified, according to the
regularity with which atoms or ions are arranged
with respect to each other, into two categories:

1. Crystalline materials: the atoms of these materials

are situated in a repeating or periodic 3D array over
large atomic distances; that is, long-range atomic order
exists.
typical of:
➢ All metals
➢ many ceramics A crystalline solid
➢ some polymers
Under normal solidification conditions
4

2
 8/2/2021

Fundamental Concepts
2. Noncrystalline materials (amorphous,
supercooled liquids): no long-range of atomic
order. Atoms have no periodic packing.

• occurs for:
➢complex structures
➢rapid cooling

An amorphous solid

Fundamental Concepts:
Crystalline materials
• When a crystalline materials solidify from the
molten state, the atoms or molecules
arrange themselves into orderly 3D periodic
configurations called crystals (grains). Within
each crystal, atoms are positioned in a
repetitive 3D pattern, in which each atom is
bonded to its nearest-neighbor atoms.
• The manner in which atoms, ions, or molecules are
spatially arranged is called the crystal structure.
• In thinking about crystals, it is sometimes convenient to
ignore actual atoms, ions, or molecules and focus on the
geometry of periodic arrays of points; a lattice: 3D array of
points (coinciding with atom positions) each of which has
identical surroundings.
6

3
 8/2/2021

Fundamental Concepts Face centered cubic

crystal structure
• The atomic hard sphere model is used in
describing crystalline structures; in this
model, atoms (or ions) are thought of as
being solid spheres having well-defined
diameters, and spheres representing
nearest-neighbor atoms touch one another.

– A reduced-sphere model: the atom a hard sphere FCC unit

cell representation
centers are represented by small circles
to provide a better perspective of atom
positions.

A reduced-sphere FCC
unit cell representation

Unit Cell
• The atomic order in crystalline solids
indicates small groups of atoms form a
repetitive pattern. Thus, in describing crystal
structures, it is often convenient to subdivide
the structure into unit cells
• The smallest repetitive volume which
contains the complete lattice pattern in a
crystal structure is the unit cell.
• Unit cells for most crystal structures are
a hard sphere FCC unit
parallelepipeds or prisms, having three sets cell representation

of parallel faces, containing atoms.

• Unit cell is the basic structural unit or
building block of the crystal structure and
defines the crystal structure by virtue of its A reduced-sphere FCC
geometry and the atom positions within. unit cell representation

4
 8/2/2021

Crystal Systems
▪ Since there are many different possible crystal
structures; it is sometimes convenient to classify them
according to unit cell configurations (geometry) and/or
atomic arrangements.
▪ One scheme is based on the unit cell geometry (the
shape of the appropriate unit cell parallelepiped without
regard to the atomic positions in the cell):
➢x,y,z coordinate system- origin at a corner, axes
on edges
➢The unit cell geometry is completely defined in
terms the lengths of the edges of a unit cell and
the angles between them: six lattice
parameters (lattice constants): a,b,c, ,, .
➢On this basis, there are 7 possible
combinations of parameters, each represents a
crystal system /14 Bravais lattices

7crystal systems (14 Bravais):

Highest
1. Cubic (S, BC, FC), degree of
symmetry
2. Hexagonal (S),
The conventional hexagonal unit cell really
consists of three parallelepipeds
3. Tetragonal (S, BC),
4. Rhombohedral (Trigonal) (S)
5. Orthorhombic (S,BC, BaseC, FC),
6. Monoclinic (S, BaseC),
least degree
7. Triclinic (S). of symmetry

S: Simple/ primitive
BC: Body Centered
FC: Face Centered
BaseC: Base Centered

10

5
 8/2/2021

Definitions
• Crystalline: The state of a solid material characterized by a
periodic or repeating 3D array of atoms, ions, or molecules.
• Crystal: a homogeneous solid whose constituent atoms,
molecules, or ions are arranged in an regularly ordered,
repeating 3D pattern that exists over large atomic distances.
• Crystal structure: For crystalline materials, the manner in which
atoms or ions are arrayed in space. It is defined in terms of the
unit cell geometry and the atom positions within the unit cell.
• Crystal system: A scheme by which crystal structures are
classified according to unit cell geometry. This geometry is
specified in terms of the relationships between edge lengths and
interaxial angles. There are seven different crystal systems.
• Unit cell: The basic structural unit of a crystal structure. It is
generally defined in terms of atom (or ion) positions within a
parallelepiped volume.

11

Crystallographic Points,
Directions, and Planes
• It is often necessary to specify a particular point
within a unit cell, a crystallographic direction, or
some crystallographic plane of atoms.
• Labeling conventions have been established in
which three numbers or indices are used to
designate point locations, directions, and planes.
• Generalized coordinates.
• The basis for determining index values is the unit
cell, with a right-handed coordinate system
consisting of three (x, y, and z) axes situated at one
of the corners and coinciding with the unit cell edges.

12

6
 8/2/2021

Crystallographic Point Coordinates

• The position of a point may be
specified in terms of its coordinates as
fractional multiples of the unit cell edge
lengths (i.e. in terms of a, b, c): qrs, no
commas
Examples:
Point coordinates (indices) for unit cell
center are (from a/2, b/2, c/2 )
•
z 2c ½½½
• Point coordinates for unit cell corner are
111
• •
b y • Translation: integer multiple of lattice
constants → identical position in
b another unit cell
13

EX: Crystallographic Point Coordinates

For the unit cell shown in the
accompanying sketch (a), locate the
point having coordinates ¼ 1 ½
(b) Specify point coordinates for all
identified points.

14

7
 8/2/2021

Crystallographic Directions
z A vector between two points, 3 indices:
Algorithm
1. Vector repositioned (if necessary) to pass
through origin (or move origin to tail of vector ).
½ 2. Read off vector projections on 3 axes in terms of
y unit cell dimensions a, b, and c
3. Adjust /reduce to smallest integer values (clear
x fractions)
4. Enclose in square brackets, no commas: [uvw]

ex: 1, 0, ½ => 2, 0, 1 => [ 201 ]

-1, 1, 1 => [ 111 ] where bar over index represents a negative index

➢ Indices of a direction are also indices of any parallel line.

➢ Changing the signs of all indices of a direction produces an
antiparallel direction (directly opposite).

15

Example
(a) Determine the indices for the direction shown in the
accompanying figure. (b) Draw the [100], [110], and [111]
directions

16

8
 8/2/2021

Crystallographic Directions
• For some crystal structures, several nonparallel directions
with different indices are crystallographically equivalent:
➢ Equivalent directions are related by symmetry (lattice)
➢ The spacing of atoms along each direction is the same
(crystal)
➢ Equivalent directions have identical linear densities.
• Families of directions <uvw> angle brackets

Ex: <100> = [100], [010], [001], [100], [010], [001]

in cubic crystals
• Directions in cubic crystals having the same indices,
without regard to order or sign, are equivalent
Ex [123], [132]

17

Examples: Determine the indices for the directions

shown in the following unit cell

A
B
C
D

18

9
 8/2/2021

Crystallographic Planes

▪A plane is indicated by
lines representing its
intersections with the
planes that constitute the
faces of the unit cell or
their extensions.

▪(most ) Crystallographic planes are

specified by three Miller indices as (hkl).
▪Parallel to any plane in any lattice, there is
a whole set of parallel equidistant planes
having same Miller indices.

19

Crystallographic Planes
• Miller Indices: Reciprocals of the (three) axial
intercepts for a plane, cleared of fractions.

• Algorithm
1. If plane passes through origin, construct another parallel
plane by appropriate translation (or move origin).
2. Read off intercepts of plane with axes in terms of a, b, c
lattice parameters (a plane that parallels an axis is
considered to have an infinite intercept)
3. Take reciprocals of intercepts
4. Clear fractions to smallest integer values
5. Enclose in parentheses, no commas, (hkl)

20

10
 8/2/2021

Crystallographic Planes
example x y z z
a b c
1. Intercepts 1 1  c
2. Reciprocals 1/1 1/1 1/
1 1 0
3. Reduction 1 1 0 y
a b
4. Miller Indices (110)
x
z
example a b c
1. Intercepts 1/2   c
2. Reciprocals 1/½ 1/ 1/
2 0 0
3. Reduction 2 0 0
y
4. Miller Indices (200) a b
x

21

Crystallographic Planes
x y z z
a b c
example c
1. Intercepts 1/2 1 3/4 • 3/4

2. Reciprocals 1/½ 1/1 1/¾

2 1 4/3 • y
• 1/2
3. Reduction 6 3 4 a b

4. Miller Indices (634) x

22

11
 8/2/2021

Crystallographic Planes
Example: Determine the Miller indices for the
plane shown in the accompanying sketch.

23

Crystallographic Planes
Example: Construct a (011) plane within a cubic
unit cell.

24

12
 8/2/2021

Crystallographic Planes
• An intercept on the negative side of the origin
is indicated by a bar or minus sign positioned
over the appropriate index.
• Reversing the directions of all indices
specifies another parallel plane, on the
opposite side of and equidistant from, the
origin.
• One interesting and unique characteristic of cubic crystals
is that planes and directions having the same indices are
perpendicular to one another, [123] (123) ; [001] (001)
• The distance between parallel planes of atoms,
interplanar spacing: (dhkl) for a cubic unit cell is given by:
• h, k, and l: Miller indices
a : lattice parameter (unit cell edge length)

25

Crystallographic Planes
• For some crystal structures, several nonparallel planes with
different indices are crystallographically equivalent:
➢Equivalent planes are related by symmetry (lattice)
➢The interplanar spacing of equivalent planes is the same
➢Equivalent planes have identical planar densities (same
atomic packing) (crystal)
• Family of Planes {hkl} braces

Ex: {100} = (100), (010), (001), (100), (010), (001)

in cubic crystals
• In the cubic system only, planes having the same indices,
irrespective of order and sign, are equivalent

Ex (123), (132)
26

13
 8/2/2021

Examples: Determine the indices for the

planes shown in the following unit cells

(322) (403)

(202) (112)

27

Metallic Crystal Structures

the simplest crystal structures
Recall, that (a) metallic bonding is non-directional;
(b) typically, only one element is present, so all
atomic radii are the same; (c) electron cloud shields
ion cores from each other; (d) consequently, there
are minimal restrictions as to the number and
position of nearest neighbor atoms.

Thus, metallic bonding leads to close, dense atomic

packing that maximize space filling and coordination
number for most metallic crystal structures.
❖coordination number: number of atomic or ionic nearest
neighbors or touching spheres for any atom/sphere

28

14
 8/2/2021

Metallic Crystal Structures

• How can we stack metal atoms in space?
• How can we stack metal atoms to minimize empty
space?
2-dimensions

vs.

Now stack these 2-D layers to make 3-D structures

We will examine four structures...
29

Simple Cubic Structure (SC)

Rare due to low packing density (only Po (polonium) has this
structure)
Close-packed directions are cube edges (Close-packed
direction is where the atoms (spheres) touch each other)

a
R=0.5a

close-packed directions
contains 8 corners x 1/8 =
1 atom/unit cell

• Coordination # = 6

30

15
 8/2/2021

Atomic Packing Factor (APF)

APF: the fraction of solid sphere volume in a unit cell

Volume of atoms in unit cell*

APF =
Volume of unit cell
*assume hard spheres
volume
atoms atom
4
unit cell 1 p (0.5a) 3
a 3
APF =
R=0.5a
a3 volume
close-packed directions unit cell
contains 8 corners x 1/8 = • APF for a simple
1 atom/unit cell cubic structure = 0.52

31

SC Stacking Sequence

A sites A

(b) Layer A on Layer A to

(a) Non-close-packed layer A
give AAAA….or SC packing

Note: close-packed planes of atoms A sites

(planes having a maximum atom or
sphere-packing density)
A sites

32

16
 8/2/2021

Body Centered Cubic Structure (BCC)

Examples: Chromium (Cr), Tungsten (W), Iron Fe (), Tantalum (Ta) ,
Molybdenum (Mo)
• Atoms touch each other along cube diagonals.

• Coordination # = 8

--Note: All atoms are

identical; the center atom is
shaded differently only for atoms/unit cell: 1 center + 8 corners x 1/8=2
ease of viewing.

33

Atomic Packing Factor: BCC

3a

2a

R Close-packed directions:
a length = 4R = 3 a
atoms volume
4
unit cell 2 p ( 3a/4) 3
3 atom
APF =
volume
a3
unit cell
• APF for a body-centered cubic structure = 0.68
34

17
 8/2/2021

BCC Stacking Sequence

A
B
A sites
B sites

A sites
B sites
Note: close-packed planes of atoms A sites
(planes having a maximum atom or
sphere-packing density)

35

Face Centered Cubic Structure (FCC)

Examples: aluminum Al, copper Cu, gold Au, Lead Pb,
Nickel Ni, Platinum Pt, silver Ag

• Atoms touch each other along face diagonals.

• Coordination # = 12

--Note: All atoms are

identical; the face-
centered atoms are atoms/unit cell: 6 face x 1/2 + 8 corners x 1/8=4
shaded differently only for
ease of viewing.

36

18
 8/2/2021

Atomic Packing Factor: FCC

Close-packed directions:
length = 4R = 2 a

2a Unit cell contains:

4R 6 x 1/2 + 8 x 1/8
= 4 atoms/unit cell
a atoms
4 volume
unit cell 4 p ( 2a/4) 3
3 atom
APF =
volume
a3
unit cell
• APF for a face-centered cubic structure = 0.74
• maximum achievable APF for spheres having
the same diameter
37

FCC Stacking Sequence

• ABCABC... Stacking Sequence
• 2D Projection
B B close-packed
C planes of atoms
A (planes having a
A sites B B B
C C maximum atom
B sites or sphere-
B B packing density)
C sites

A
• FCC Unit Cell B
C
These close-
packed planes are
of the (111) type

38

19
 8/2/2021

Hexagonal Close-Packed Structure (HCP)

• Examples: cadmium Cd, magnesium Mg, titanium Ti (),

zinc Zn, Cobalt Co
• a=2R; c/a = (22)/3=1.633 6 atoms/unit cell: 12 face
corners x 1/6 + 2 center face
• Coordination # = 12 x 1/2 + 3 mid-plane interior
• APF = 0.74

39

HCP Stacking Sequence

• ABAB... Stacking Sequence
• 3D Projection • 2D Projection

A sites Top layer

c
B sites Middle layer

A sites Bottom layer

a

These close-packed
planes for HCP are
(0001)-type planes

40

20
 8/2/2021

41

Polymorphism
• Polymorphism: Two or more distinct crystal structures
for the same material (allotropy – for elemental solids)
• The prevailing crystal structure depends on both the
temperature and the external pressure.
Carbon
Pure iron (Fe)
liquid
extremely high pressures ambient conditions
1538ºC
Titanium (Ti) BCC -Fe
liquid 1394ºC
1670ºC FCC -Fe
BCC -Ti 912ºC
882ºC BCC -Fe
HCP -Ti

42

21
 8/2/2021

Single Crystals vs. Polycrystalline

• For a crystalline solid, when the periodic and
repeated arrangement of atoms is perfect or
extends throughout the entirety of the
specimen without interruption, the result is a
single crystal. All unit cells interlock in the
same way and have the same orientation.
–Examples: gemstone (natural), silicon single
crystals used in electronic microcircuits
(artificial).

• Most crystalline solids are composed of a

collection of many small crystals or grains;
such materials are termed polycrystalline.
– Grain sizes typically range from 1 nm to 2 cm
(i.e., from a few to millions of atomic layers).

43

Stages in the solidification of a

polycrystalline material
If one crystal grow to
become all the
specimen==single crystal

Nuclei of Growth of the

random grains;
crystallographic some adjacent
orientations. grains obstruct
each other.

Extremities of grain structure

adjacent grains under a
impinge on one microscope; dark
another as the lines are grain
solidification boundaries:
process regions where
approaches two grains meet.
completion.
crystallographic orientation varies from grain to grain. Also,
there exists some atomic mismatch within the grain boundaries

44

22
 8/2/2021

The structure of crystalline solids

Single crystal and polycrystalline solids

•Periodicity in solids

Single crystal
Polycrystalline: Amorphous:
“monocrystalline”:
periodicity across no periodicity
periodicity across
each grain
the whole volume

45

Single Crystals vs Polycrystals

• Single Crystals E (diagonal) = 273 GPa

-Properties vary with crystallographic

direction: anisotropic1.
-Example: the modulus of elasticity (E)
in BCC iron:
E (edge) = 125 GPa
• Polycrystals
-Properties may/may not vary with direction.
-If grains are randomly oriented: isotropic2.
(Epoly iron = 210 GPa) 200 mm

-If grains are textured3, anisotropic.

1Anisotropy, directionality of properties, is associated with the variance of atomic or ionic spacing with crystallographic
direction
2properties are not directional, measured property is some average of the directional values
3grains have a preferential crystallographic orientation- most of the grains have a specific crystallographic direction

that is aligned (or almost aligned) in the same direction

46

23
 8/2/2021

Theoretical Density, r
A knowledge of the crystal structure of a metallic solid
permits computation of its theoretical density through the
relationship
Mass of Atoms in Unit Cell
Density = r =
Total Volume of Unit Cell

nA
r =
VC NA

where n = number of atoms/unit cell

A = atomic weight (g/mol)
VC = Volume of unit cell = a3 for cubic cell
NA = Avogadro’s number
= 6.022 x 1023 atoms/mol
*Typical tabulated unit for density is g/cm 3

47

Theoretical Density, r , for chromium

• Ex: Cr (BCC)
A = 52.00 g/mol
R = 0.125 nm

n = 2 atoms/unit cell
R
a a = 4R/ 3 = 0.2887 nm
atoms
g
unit cell 2 52.00 rtheoretical = 7.18 g/cm3
mol
r= ractual = 7.19 g/cm3
a3 6.022 x 1023
volume atoms
unit cell mol

48

24
 8/2/2021

Note

• Theoretical density of a metallic solid given its

crystal structure:
n A
r=
VC  N A

• Number of atomic sites per unit volume, N

(atoms/cm3):
N Ar
N=
A

49

Linear Density
• Linear Density of Atoms  LD =
Number of atoms centered on direction vector 1
Length of direction vector
[110]
ex: linear density of Al in [110]
direction
R=0.1431 nm
a = 0.405 nm
a # atoms
2
LD = = 3.5 atoms/nm
length 2a
1With regard to the numbers of atoms, it is necessary to take into account
the sharing of atoms with adjacent unit cells along the direction vector.

50

25
 8/2/2021

Planar Density
• Planar Density of Atoms  PD =
Number of atoms centered on a crystallographic plane1
Area of plane

Ex: we want to examine the atomic packing of

crystallographic planes
• Iron foil can be used as a catalyst. The atomic
packing of the exposed planes is important.
a) Draw (100) and (111) crystallographic planes
for Fe.
b) Derive an expression for, and then calculate, the
planar density for each of these planes.
1With regard to the numbers of atoms, it is necessary to take into account
the sharing of atoms with adjacent unit cells on the plane.
51

Planar Density of (100) Iron

Solution: At T < 912ºC iron has the BCC structure.
2D repeat unit

(100) 4 3
a= R
3

Radius of iron R = 0.1241 nm

atoms
2D repeat unit 1
1 atoms atoms
Planar Density = = 2 = 12.1 = 1.2 x 1019
area a2 4 3 nm 2 m2
R
2D repeat unit 3

52

26
 8/2/2021

Planar Density of (111) Iron

Solution (cont): (111) plane
The centers of the three corner atoms,
denoted by A, B, and C lie on this plane.
Furthermore, the (111) plane does not
pass through the center of atom D, which
is located at the unit cell center.
One sixth of each of the three atoms
labeled A, B, and C is associated with this
plane, which gives an equivalence of one-
2
half atom. 4 3  16 3 2
area = 3 a = 3 
2
R  = R
atoms 2  3  6
2
2D plane 1/2
atoms = atoms
Planar Density = = 7.0 0.70 x 1019
2
nm m2
area 16 3
R2
2D plane 6

53

Planar Density
•What is the planar density for (110) plane in FCC

•What is the planar density for (110) plane in BCC

54

27
 8/2/2021

X-ray Diffraction
• X-ray diffraction (XRD) is an important experimental tool for studying
crystalline solids.
• It can be used to analyze many features of the microstructure of the
material, including structures and lattice parameters, composition /
phases, crystallographic orientations (texture), and other structural
parameters, such as average grain size, degree of crystallinity, strain,
and crystal defects.
• Diffraction is result of radiation’s being scattered by a regular array of
scattering centers whose spacing is about same as the wavelength (λ)
of the radiation.
• The scattering occurs due to interaction between the incident X-ray
beam with the electrons in the material,
and the diffracted X-rays interact with each other
to cause diffraction patterns that depend
on the angle of the incident beam
in relation to the specimen
orientation.

55

X-ray Diffraction
Constructive interference Destructive interference
Diffracted waves are in phase and Diffracted waves are out of phase and
reinforce (add up) cancel out

Bragg's law
reflections must
be in phase for a
λ detectable signal

Extra distance θ θ
travelled by spacing
wave “2” d between
planes

56

28
 8/2/2021

Bragg’s Law
Bragg’s discovery that
crystalline solids produced
surprising patterns of reflected
X-rays. They found that crystals,
at certain specific wavelengths
and incident angles, produced
intense peaks of reflected
radiation. The derived Bragg's
law is a special interpretation of
diffraction, where the Braggs
interpreted the constructive
interference in a geometric way
by reflection of waves from
crystal lattice planes (as a set of
discrete parallel planes
separated by a constant
parameter d), such that the
path-difference becomes a
multiple of the incident
wavelength.

57

Bragg’s Law

h, k, and l: Miller indices

a: lattice parameter (unit cell edge length)
Reflection rules
- Bragg’s law is a necessary but not sufficient condition for diffraction by real
crystals
- Atoms situated at sites other than cell corners act as extra scattering centers
resulting in the absence of some diffracted beams that, according to Bragg’s law,
should be present

58

29
 8/2/2021

Bragg’s Law

For simple cubic : 1,2,3,4,5,6,8,9,….

For BCC : 2,4,6,8,10,12,14,…
For FCC : 3,4,8,11,12,16,….

Impossible integers: 7,15,23,28,31,….

59

Diffraction Techniques
One common diffraction technique employs a powdered or polycrystalline
specimen consisting of many fine and randomly oriented particles that are exposed
to monochromatic x-radiation. Each powder particle (or grain) is a crystal and
having a large number of them with random orientations ensures that some
particles are properly oriented such that every possible set of crystallographic
planes will be available for diffraction.
A single (monochromatic) wavelength of x-ray radiation is often used to keep the
number of diffraction peaks to a small workable number, since samples often
consists of many small crystal grains orientated randomly.
The diffractometer is an apparatus used to determine the angles at which diffraction
occurs for powdered specimens; its features are represented schematically in the
Figure.
Figure 3.22: Diffraction pattern for polycrystalline α iron (BCC).

Figure 3.21 Schematic

diagram of an x-ray
diffractometer; T x-ray
source, S specimen, C
detector, and O the axis
around which the specimen
and detector rotate.

60

30
 8/2/2021

Indexing of Diffraction Data

Bragg's law

For a particular x-ray

wavelength and cubic
crystal of unit cell size a

61

X-ray diffraction

For BCC iron, compute

1.the interplanar spacing d, and
2.the diffraction angle for the (220) set of
planes.
The lattice parameter for Fe is a = 0.2866
nm. Assume that monochromatic radiation
having a wavelength of  = 0.1790 nm is
used, and the order of reflection is n=1.

62

31
 8/2/2021

X-ray diffraction

• For which set of crystallographic planes will a

first-order diffraction peak occur at a
diffraction angle (2𝜃)of 46.21° for BCC iron
when monochromatic radiation having a
wavelength of 0.071 nm is used?

63

X-ray diffraction
Below is the x-ray diffraction pattern for lead Pb
taken using a diffractometer and monochromatic x-
ray radiation having a wavelength of  = 0.1542
nm; each diffraction peak on the pattern has been
indexed. Compute the interplanar spacing for each
set of planes indexed; also, determine the lattice
parameter of Pb for each of the peaks. For all
peaks, assume the order of reflection is
n = 1.

64

32
 8/2/2021

X-ray diffraction
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.

65

Table 3.1

66

33
 8/2/2021

SUMMARY
• Atoms may assemble into crystalline or amorphous
structures.
• Common metallic crystal structures are FCC, BCC, and
HCP. Coordination number and atomic packing factor
are the same for both FCC and HCP crystal structures.
• We can predict the density of a material, provided we
know the atomic weight, atomic radius, and crystal
structure (e.g., FCC, BCC, HCP).
• Crystallographic points, directions and planes are
specified in terms of indexing schemes.
Crystallographic directions and planes are related
to atomic linear densities and planar densities.

67

SUMMARY

• Materials can be single crystals or polycrystalline.

Material properties generally vary with single crystal
orientation (i.e., they are anisotropic), but are generally
non-directional in polycrystals with randomly oriented
grains (i.e., they are isotropic) .
• Some materials can have more than one crystal
structure. This is referred to as polymorphism (or
allotropy).

68

34