MTE 583 - Advanced Structure of Materials

Class 10
Crystallography and Crystal Structures
Suggested Reading

Chs. 3 M. DeGraef and M.E. McHenry, Structure of Materials, Cambridge (2007) 55-69.
Ch. 1 C. Kittel, Introduction to Solid State Physics, 3rd Edition, Wiley (1956).
Excerpt from ASM Metals Handbook.
Chs. 1 and 3 S.M. Allen and E.L. Thomas, The Structure of Materials, Wiley (1999).
Chs. 3 and 4 R. Tilley, Crystals and Crystal Structures, Wiley (2006).

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Questions to Ponder
What is a crystal system?
What are unit cells?
What information is needed to specify a crystal
structure?
H
How d
does a crystal
t l llattice
tti diff
differ ffrom a crystal
t l
structure?
What is a point group?
What is a space group?
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Salt crystals

N
Na

Cl

http://healthfreedoms.org/2009/05/24/table-salt-vs-unrefined-sea-salt-a-primer/

Shapes of crystals give us a clue about atomic arrangement

15

CRYSTALS
Solids where atoms are arranged in periodic
(i.e., repeating, symmetric, etc.) patterns.

SYMMETRY
Describes the repetitions of a pattern within a
crystal.

16

Crystal Structure = Lattice + Motif

[B
[Basis]
]

A lattice must be symmetric!

Motifs must be arranged symmetrically!
M. DeGraef and M.E. McHenry, Structure of Materials, Cambridge University Press (2007) p. 56
17

One--Dimensional Lattice
One
T = 3a
a

Each lattice point must have identical surroundings.

(i e same environment)
(i.e.,
environment ).
In a given direction, all lattice points must be separated by an
identical distance
distance, a (which we call a lattice
l tti parameter).
t )
In a 1D lattice, a translation of na from one lattice point to
another, where n is an integer, brings you to an identical*
lattice point.

T = na

* A lattice
l
point with
h
identical surroundings.
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Two--Dimensional Lattice
Two
y
x

T = 1a+2b

b
a

There are two non-collinear lattice vectors (a and b).

A translation of na + pb from one lattice point to another
must bring you to an equivalent lattice point.
The interaxial angle defines the relationship between the
two lattice vectors.

T = na + pb
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Three--Dimensional Lattice
Three
There are 3 non-collinear
basis vectors called
lattice parameters
(a, b and c).
3 interaxial angles.
All points can be defined
by a series of vectors:
T = na + pb + qc

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Three--Dimensional Latticecontd
Three
There are 3 non-collinear
basis vectors called
lattice parameters
(a, b and c).
3 interaxial angles.
All points can be defined
by a series of vectors:
T = na + pb + qc
Basis vectors define a
unit cell.

21

An entire lattice can be described by a unit cell

b

2-D

Unit cell

3-D

Unit cell

c
c
Lattice
points

Unit Cell A small part of the lattice; retains all

characteristics (structural and physical)
of the lattice.
lattice
Unit Cell + translation = lattice

22

Lattice Axes, Interaxial Angles, and Unit Cells

The basis vectors
are not
necessarily
orthogonal.

LATTICE PARAMETERS

Axis
Inter-axial angle

23

Unit Cell Shapes

Unit cells in crystals have specific shapes.
They are based upon:
1. Highest symmetry
2 Consistency with past convention
2.
3. Minimized unit cell volume
4. Satisfaction of minimal symmetry requirements.

We call the shapes crystal systems[*].

All crystal structures evolve from crystal systems.
[*] A set of reference axes used to define the geometry of crystal and crystal structures
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Crystal Systems
In 2D there are only four (4).
1.
2.
3.
4.

Oblique
Rectangular
Hexagonal
Square

In 3D there are only seven (7).

1.
2.
3.
4.
5.
6
6.
7.

Triclinic (anorthic)
Monoclinic
Hexagonal
g
Rhombohedral (trigonal)
Orthorhombic
Tetragonal
Cubic

The crystal systems

are the only possible
shapes for unit cells
With these shapes,
you can fill all
available space and
leave no voids!

25

M DeGraef and M.E.

M.
M E McHenry,
McHenry Structure of Materials
Materials, Cambridge University Press (2007) p
p. 66

26

R Tilley
R.
Tilley, Crystals and Crystal Structures
Structures, Wiley,
Wiley New York (2006) p
p. 4

27

The angle is usually chosen to be larger than 90

M. DeGraef and M.E. McHenry, Structure of Materials, Cambridge University Press (2007) p. 68
28

Keep in mind
Crystal shape reveals underlying symmetry of
crystal.
Must place lattice points on shape to build up a
l i
lattice.
All lattice points must be identical

29

How do we define lattices and unit cells?

Must consider symmetry.
Symmetry limits the number of possibilities.
Crystal lattices must exhibit a specific minimal
amount of symmetry.
symmetry
E
Each
h crystal
t l system
t
has
h a certain
t i symmetry.
t
(Lattice points have certain internal arrangements)

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Symmetry Operators
All motions that allow a pattern to be transformed from
an initial position to a final position such that the initial
and final patterns are indistinguishable.
1. Translation*
2 Reflection
2.
3. Rotation
4. Inversion (center of symmetry)
5. Roto-inversion (inversion axis)
6. Roto-reflection
7. Glide (translation + reflection)

These are compound

symmetry operators
(combinations of 1-4)

8 Screw (rotation + translation)

8.
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Axial
Relationships

Interaxial
Angles

Minimum # of
Symmetry Elements

Cubic

a=b=c

= = = 90

Four 3-fold rotation or roto-inversion

axes parallel to body diagonals

Hexagonal

a=bc

= = 90; = 120

One 6-fold rotation or rotoinversion

axis parallel to z-axis

Tetragonal

a=bc

= = = 90

One 4-fold rotation or roto-inversion

axis parallel to z-axis

Rhombohedral
(Trigonal)

a=b=c

= = 90
90

One 3-fold rotation or roto-inversion

axis
i parallel
ll l to z-axis
i

Orthorhombic

abc

= = = 90

Three 2-fold rotation or roto-inversion

axes parallel to x,y,z-axes

Monoclinic

abc

= = 90

One 2-fold rotation or roto-inversion

axis parallel to y-axis

Triclinic

abc

90

None

Crystal System

Id memorize these if I were you

Increasin
ng symmetry

Symmetry of Crystal Systems

32

Crystal System
+
Symmetric Array
of Lattice
o
a ce Points
o s
=
Bravais Lattice

We can classify
Bravais lattices in
terms of the number
of lattice points in
the unit cell

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