10/17/2024

IE 223 / IE0242: Materials

Science & Engineering

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?

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Introduction
• The structure of a material 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
➢ some polymers A crystalline solid

Under normal solidification conditions

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

• occurs for: An amorphous solid

➢complex structures (such as polymers, which

are typically semicrystalline or amorphous)
➢rapid cooling

Morphology: 1. the study of the forms of things. 2. a particular form, shape, or structure.
Amorphous: 1. without a clearly defined shape or form. 2. (of a solid) not crystalline.
Polymorphous: having two or more distinct crystal structures for the same material

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.
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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 centers

are represented by small circles to provide a
a hard sphere FCC unit
better perspective of atom positions. cell representation

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 cell is the basic structural unit or building
block of the crystal structure and it defines the a hard sphere FCC unit
cell representation
crystal structure by virtue of its geometry and
the atom positions within.
• Unit cells for most crystal structures are
parallelepipeds or prisms, having three sets of
parallel faces, containing atoms. A reduced-sphere FCC
unit cell representation

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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

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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 a 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.

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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.

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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
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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.

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Crystallographic Directions
A direction/vector between two points is identified by 3 indices:
Algorithm
1. Vector repositioned (if necessary) to pass through origin (or move
origin to tail of vector).
2. Read off vector projections on 3 axes in terms of unit cell dimensions
a, b, and c; or subtract tail from head point coordinates.
3. Adjust /reduce to smallest integer values (clear fractions)
4. Enclose in square brackets, no commas: [uvw]
5. A negative index is represented with a bar over the index
z
Determine the indices for the directions
shown in the accompanying figure

½ y

x -1, 1, 1 => [ 111 ]

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Crystallographic Directions
➢ 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).
➢ 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 (crystal)
➢ 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]
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Suggested Problems
Determine the indices for the directions shown in the
following unit cells

A
B
C
D

Draw the [100], [110], [111], and

ത 0] directions in a unit cell
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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.

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Crystallographic Planes
• Miller Indices: Algorithm
1.If plane passes through origin or its intercepts with axes are not obvious,
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)
6.An intercept on the negative side of the origin is indicated by a bar or minus
sign positioned over the appropriate index.
z
x y z
example c
a b c
1. Intercepts 1 1 
2. Reciprocals 1/1 1/1 1/
1 1 0 y
3. Reduction 1 1 0 a b
4. Miller Indices (110) x
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Crystallographic Planes
Determine the Miller indices for the plane shown in the accompanying sketch.

Construct a (0 11) plane within a cubic unit cell.

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Crystallographic Planes

• 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)

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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)
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Suggested Problems
Determine the indices for the planes shown in the following unit cells
z z
(200)
c c
• 3/4 (322)
(634)
•
½ y • 1/2 y
a b a b
x x (202)

Construct a (101) plane

(403)
within a unit cell.
(112)

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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.

Versus

❖coordination number: number of atomic or ionic nearest neighbors or touching

spheres for any atom/sphere
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Metallic Crystal Structures

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

vs.

Close packed plane Non-close packed plane

Now stack these 2D layers to make 3D structures

We will examine four structures...
https://www.youtube.com/watch?v=iPb8vRtroLU
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Simple Cubic Structure (SC)

Rare due to low packing density (only Po (polonium) has this
structure)
Close-packed directions are cube edges <100> (Close-
packed direction is where the atoms (spheres) touch each
other)

a
R=0.5a

close-packed directions

contains 8 corners x 1/8 =

• Coordination # = 6 1 atom/unit cell

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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  (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

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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

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Body Centered Cubic Structure (BCC)

Examples: Chromium (Cr), Tungsten (W), Iron Fe (), Tantalum (Ta) ,
Molybdenum (Mo)
• Atoms touch each other along cube diagonals <111>.

• Coordination # = 8

--Note: All atoms are

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

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Atomic Packing Factor: BCC

3a

2a

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

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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 <110>.

• 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.

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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  ( 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
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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
maximum atom
C C
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

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Hexagonal Close-Packed Structure (HCP)

Basal
planes
(0001)

• 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

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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
https://www.youtube.com/watch?v=iPb8vRtroLU
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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

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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).

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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

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The structure of crystalline solids

Single crystal vs polycrystalline vs amorphous solids

•Periodicity in solids

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

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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

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Theoretical Density, 
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 =  =
Total Volume of Unit Cell

nA
 =
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

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Theoretical Density,  , 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 theoretical = 7.18 g/cm3
mol
= actual = 7.19 g/cm3
a3 6.022 x 1023
volume atoms
unit cell mol

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Note

• Theoretical density of a metallic solid given its

crystal structure:
n A
=
VC  N A

• Number of atomic sites per unit volume, N

(atoms/cm3):
n A N 
= rearrange N = A
Atoms/mole . g/cm3
VC  N A A
g/mole

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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 2
LD = = = 3.5 atoms/nm
2a 4𝑅
length
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.
*Use number of “diameters” to count number of atoms

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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.
**Use number of “cross-sectional circles” to count number of atoms

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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

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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 ö 16 3 2
area = 3 a = 3 
2
R  = R
atoms 2 è 3  6
2
2D plane 1/2
atoms = atoms
Planar Density = = 7.0 0.70 x 1019
area 16 3 nm
2 m2
R2
2D plane 6

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Suggested Problems
•What is the planar density for (110) plane in FCC

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

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Suggested problems
Determine the indices for
point A, direction B, and plane
C in the following unit cell

Compare planar densities for the (100),

(110), and (111) planes for FCC structure.

Compare planar densities for the (100),

(110), and (111) planes for BCC structure.
Derive planar density expression for FCC (100) plane in terms of
the atomic radius R, Compute the planar density value for this plane
for nickel.
Calculate the radius of a vanadium (V) atom, given that V has a
BCC crystal structure and a density of 5.96 g/cm3.

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Suggested problems
Indium (In) has a tetragonal unit cell for which the a and c lattice
parameters are 0.459 and 0.495 nm, respectively.
(a) If the atomic packing factor and atomic radius are 0.693 and 0.1625
nm, respectively, determine the number of atoms in each unit cell.
(b) The atomic weight of In is 114.82 g/mol; compute its theoretical
density.

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.

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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.

high-energy electromagnetic radiation, with

wavelength ranging from 10 picometers
(10-12) to 10 nanometers (10-9): on the
order of atomic spacings for solids.

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Interaction of electromagnetic waves with matter

Waves interact with matter and with each other

For diffraction to be observed,

the width of the slit and the
wavelength of the wave must
be of the same order and or
nearly equal.

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Interaction of electromagnetic waves

Constructive interference Destructive interference

Diffracted waves are in phase and Diffracted waves are out of phase and
reinforce (add up) cancel out

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X-ray Diffraction
• Diffraction is result of radiation 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.

reflections must
be in phase for a
λ detectable signal

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

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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

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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,….

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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.

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Indexing of Diffraction Data

Bragg's law

For a particular x-ray

wavelength and cubic
crystal of unit cell size a

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X-ray diffraction
EXAMPLE PROBLEM 3.13
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.

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EXAMPLE PROBLEM 3.13

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EXAMPLE PROBLEM 3.15

• Figure 3.24 shows an x-ray diffraction pattern for lead taken using a
diffractometer and monochromatic x-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 diffraction is 1.

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EXAMPLE PROBLEM 3.15

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Suggested problems
For which set of crystallographic planes will a first-order diffraction peak
occur at a diffraction angle (2𝜃) of 46.21º for BCC iron when
monochromatic radiation having a wavelength of 0.071 nm is used?

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.

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Table 3.1

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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.

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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).

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