MATERIAL ENGINEER

CRISTAL STRUCTURS

Short-Range Order versus

Long-Range Order
Short-range order - The regular and
predictable arrangement of the atoms over a
short distance - usually one or two atom
spacings.
Long-range order (LRO) - A regular repetitive
arrangement of atoms in a solid which extends
over a very large distance.

Levels of atomic arrangements

Levels of atomic arrangements
in materials:
(a) Inert monoatomic gases
have no regular ordering of
atoms:

(b,c) Some materials, including

water vapor, nitrogen gas,
amorphous silicon and silicate
glass have short-range order.
(d) Metals, alloys, many
ceramics and some polymers
have regular ordering of
atoms/ions that extends through
the material.

Lattice, Unit Cells, Basis, and Crystal

Structures
Lattice - A collection of points that divide space into
smaller equally sized segments.
Basis - A group of atoms associated with a lattice
point.
Unit cell - A subdivision of the lattice that still retains
the overall characteristics of the entire lattice.
Atomic radius - The apparent radius of an atom,
typically calculated from the dimensions of the unit
cell, using close-packed directions (depends upon
coordination number).
Packing factor - The fraction of space in a unit cell
occupied by atoms.

Basis
NET

BASE

ATOMIC
RADIOS

UNIT CELD

PACKING FACTOR

The fourteen types of

Bravais lattices
grouped in seven
crystal systems. The
actual unit cell for a
hexagonal

(c) 2003 Brooks/Cole Publishing / Thomson Learning

Characteristic of the crystal system

Definition of the
lattice
parameters and
their use in
cubic,
orthorhombic,
and hexagonal
crystal systems.

(c) 2003 Brooks/Cole Publishing / Thomson Learning

Commoun crystal systems

For the 14 crystal system,

FACE CENTERED CUBIC (FCC)

BODY CENTERED CUBIC (BCC)

HEXAGONAL CLOSE PACKED (HCP)

They are the commun system on the nature, about 98%

of the metals exibiht it

FACE CENTERED CUBIC- FCC

CC o FCC

(Face cubic center)

Aluminium
Cooper
Gold
Nickel
Iron

FACE CENTERED CUBIC- FCC

How many atoms are in the unit celd?

What is the coordination number?

What is the packing factor?
What is the ratio lattice parameter and the atomic
ratio?

FACE CENTERED CUBIC- FCC

Coordination number: Atoms or ions which are in contact with each
other

Un octavo de tomo por

celda unidad

Each atom is in contact with other 12

Atoms number in FCC

4
1/8
1/2

atoms = (1/2)x6 + (1/8)x8 = 4 atoms per unit celd

FACE CENTERED CUBIC- FCC

Relationship between Atomic Radius and Lattice
Parameters

By Pitagora
h2= c2 + c2
But h = 4r
Then

a0

4r

c = ao

(4r)2 = 2ao2
ao2 = (4r)2 / 2

FACE CENTERED CUBIC- FCC

Atomic Packing factor: Is the fraction of volume in a crystal
structure that is occupied by atoms

APF =

Volume of everyone atoms on the unit celd

Volum of unit celd

Atoms are supposed as rigid sphere

BODY CENTERED CUBIC - BCC

All atoms are the

same element and
same size

Chrom
Molibden
Tantalium
Wolframium
Iron

BODY CENTERED CUBIC - BCC

How many atoms are in the unit celd?

What is the coordination number?

What is the packing factor?
What is the ratio lattice paremeter and the atomic
ratio?

BODY CENTERED CUBIC - BCC

1/8

No atomos = (1/8)x8 + 1
2 atoms in BCC

Coordination number = 8

BODY CENTERED CUBIC - BCC

Relationship between Atomic Radius and Lattice
Parameters
by Pitgoras

h2= c12 + c22

But h = 4r c1 = ao2
c2 = a o
(4r)2 = ao 2 + (ao 2 )2
(4r)2 = 3ao 2

a0

4r

BODY CENTERED CUBIC - BCC

Atomic packing factor

Hexagonal close packed

HCP (Hexagonal
close packed)
The unit cell can be
a complete hexagon
or one prism for the
six
Magnesium
Berilium
Cobalt
Titanium
Cinc

HCP (a complete hexagon)

The unit cell can be a complete hexagon or one prism for
the six

Atoms by cell
To the hexagon
2*1/2= 1 face
3 center
6*1/3*1/2*2= 2 corner
Total 6 atoms by cell

HCP (a complete Hexagon)

Packing factor = 0.74 the same value in everyone FCC

Number coordination = 12

c
a2

a1

a3

On HCP there are four different axes, a1, a2 a3

y c and the calculus of the atomic ratio is more
complicated to calculate

Allotropic or Polymorphic
Transformations
Allotropy - The characteristic of an element being able
to exist in more than one crystal structure, depending
on temperature and pressure.
Polymorphism - Compounds exhibiting more than one
type of crystal structure.
Fusion point
Deltha iron FCC
Change of the cristal
structure
Change of the
volume

Change of the mechanical

properties

Gamma iron BCC

Alpha iron FCC

Room temperature

Determining the Density of BCC Iron

Determine the density of BCC iron, which has a lattice
parameter of 0.2866 nm.

SOLUTION
Atoms/cell = 2, a0 = 0.2866 nm = 2.866 10-8 cm
Atomic mass = 55.847 g/mol
3
a
Volume of unit cell = 0= (2.866 10-8 cm)3 = 23.54 10-24 cm3/cell

Avogadros number NA = 6.02 1023 atoms/mol

(number of atoms/cell)(atomic mass of iron)

(volume of unit cell)(Avog adro' s number)
(2)(55.847 )
3

7
.
882
g
/
cm
(23.54 10 24 )(6.02 10 23 )

Density

Determining the Density of BCC Iron

Determine the density of aluminium, which has a lattice parameter of
0.2866 nm.