Pamantasan ng Lungsod ng Maynila

College of Engineering and Technology

Engineering Sciences Department

Material Science
and Engineering
PART3: STRUCTURE OF CRYSTALLINE
SOLIDS
ENGR. ELAINE G. MISSION, M.Sc.

Objectives:
To identify the different crystal
structures in solid materials

To determine the relationship between

the crystal structures and properties of
materials
To differentiate the crystalline and
amorphous structured material

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Some Important Terms

Crystalline material in which the atoms are situated in a repeating or periodic
array over large atomic distances.

Noncrystalline (Amorphous) materials which lack a systematic and regular

arrangement of atoms over relatively large atomic distances. Sometimes called
Supercooled Liquid because their atomic structure resembles that of a liquid.
Grains small crystals
Crystal Structure the manner in which atoms, ions, or molecules are spatially
arranged.

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Some Important Terms

Lattice a three-dimensional array of points coinciding with atom positions (or
sphere center)
Unit Cells the basic structural unit or building block of the crystal structure and
defines the crystal structure by virtue of its geometry and the atom positions within.
Anisotropy is the directionality dependence of properties.
Isotropic properties are independent of the direction of measurement.

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Crystal Structure/Lattice
Most properties of the crystalline solids depend on the crystal
structure.

Atomic hard-sphere model

Atoms (or ions) in the crystalline structure, assumed to be in
the form of solid spheres having well-defined diameters, touch
the nearest-neighbor atoms.

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Unit Cells
Unit Cells are usually in the form of parallelepipeds or
prisms having three sets of parallel faces

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Unit Cells
The Unit Cells is the small pattern found in the structure which is
repeated throughout the whole structure of the crystalline.

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Metallic Crystal Structures

Atomic Bonding : Metallic
Properties : Nondirectional
Number of nearest-neighbor : large number
Atomic Packing : Dense

Copper crystal structure

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Atomic Radii of Some Metals

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Metallic Crystal Structures

Three Simple Crystal Structures:
1. Face-centered cubic
2. Body-centered cubic
3. Hexagonal close-packed

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Atomic Packing Factor (APF)

APF is the sum of the sphere volumes of all atoms within
a unit cell divided by the unit cell volume.

Coordination Number
Coordination number is the number of nearest-neighbor or
touching atoms.

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Face-Centered Cubic Crystal

Structure (FCC)
FCC is a crystal structure which has a unit cell in the
form of cubic geometry, with atoms located at each of
the corners and the centers of all the cube faces.

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Face-Centered Cubic Crystal

Structure (FCC)

a2 + a2 = (4R)2

2a2 = 16R2
a2 = 8R2
Cube Edge :
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a = 2R2
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Face-Centered Cubic Crystal

Structure (FCC)
4x

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Face-Centered Cubic Crystal

Structure (FCC)
Atomic Packing Factor

Coordination Number = 12

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Body-Centered Cubic Crystal

Structure (BCC)
BCC is a crystal structure which has a unit cell
in the form of cubic geometry, with atoms
located at all eight corners and a single atom at
the cube center.

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Body-Centered Cubic Crystal

Structure (BCC)

a2 + (2a)2 = (4R)2
3a2 = 16R2

a2 = 16/3R2
Cube Edge :
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a = 4R/3
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Body-Centered Cubic Crystal

Structure (BCC)
2x

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Body-Centered Cubic Crystal

Structure (BCC)
Atomic Packing Factor

Coordination Number = 8

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Hexagonal Close-Packed
Crystal Structure (HCP)
HCP is a crystal structure which has a unit cell
in the form of hexagonal geometry, with atoms
located at all twelve corners, at the center of
the two base and one at every pair of parallel
faces.

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Hexagonal Close-Packed
Crystal Structure (HCP)
a2 + c2 = (4R)2
c/a = 1.633
a2 + (1.633a)2 = (4R)2

2.633a2 = (4R)2
a = 4R/2.633
(ideal example)

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Hexagonal Close-Packed
Crystal Structure (HCP)
6x

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Hexagonal Close-Packed
Crystal Structure (HCP)
Atomic Packing Factor

Coordination Number = 12

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Theoretical Density ()
Density is the ratio of mass per unit volume
of substance.

n = number of atoms associated with each unit cell

A = atomic weight
V = volume of the unit cell
N = Avogadros number (6.022 x 1023 atoms/mol)

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Polymorphism
Polymorphism is the phenomenon when a
material may have more than one crystal
structure.

Allotropy
Allotropy is polymorphism occurring in one
elemental solid.

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Crystal Systems
The concept of crystal systems is used to classify
crystal structures on the basis of unit cell
geometry.

Lattice Parameters
The parameter use as basis of unit cell which
include the unit cell edge lengths (a, b, c)and
interaxial angles (, , ).

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

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Cubic
Hexagonal
Tetragonal
Rhombohedral (Trigonal)
Orthorhombic
Monoclinic
Triclinic

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1. Cubic System

Fluorite
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2. Hexagonal System

Corundum
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3. Tetragonal System

Rutile
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4. Rhombohedral (Trigonal)
System

Cerussite
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5. Orthorhombic System

Barite
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6. Monoclinic System

Boron
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7. Triclinic System

Rhodonite
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Crystallographic Point Coordinates

The position of any point located within
a unit cell may be specified in terms of
its coordinates as fractional multiples of
the unit cell edge lengths.
P(a, b, c)
P(0.5a, 0.75b, 0c)

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Crystallographic Directions
A crystallograpic direction is defined
as a line between two points, or a
vector.

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Crystallographic Planes
The orientation of planes for a crystal
structure is specified by three MILLER
INDECES as (hkl)

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Crystallographic Planes

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Linear Densities (LD)

LD is defined as the number of atoms per unit
length whose centers lie on the direction vector
for a specific crystallographic direction
For a particular material with equivalent
direction, it has an identical linear densities.

The units of linear density are reciprocal length

(1/m)

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Planar Densities (PD)

PD is taken as the number of atoms per unit area
that are centered on a particular
crystallographic plane.
For a particular material with equivalent
crystallographic planes, it has an identical
planar densities.
The units of linear density are reciprocal area
(1/m 2)

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Single Crystals
Single crystals are the result when a crystalline
solid have a perfect periodic and repeated
arrangement of atoms that extends throughout
the entirety of the specimen without
interruption. Usually have flat faces.

Polycrystalline
Polycrystalline is the collection of many grains.

Grain Boundary
Grain Boundary is an atomic mismatch within
the region where two grains meet.
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Polycrystalline Single Crystals

If grains are randomly
oriented then it is
isotropic.

Properties strictly are

anisotropic.

If grains are textured

then it is anisotropic.

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X-ray Diffraction
Diffraction is a consequence of specific phase
relationships established between two or more
waves that have been scattered by the obstacles.
Diffraction occurs when a wave encounters a
series of regularly spaced obstacles that are:
1. capable of scattering the wave
2. have spacings that are comparable in
magnitude to the wavelength
Diffractometer is an apparatus used to determine
the angles at which diffraction occurs for
powdered specimens.
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Diffraction
Mutually Reinforced

The waves form are added forming a wave with the

additive amplitude.

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Diffraction
Partially Reinforced

The waves form are partially added forming a wave

with the additive amplitude.

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Diffraction
Destructive Interfere

The waves form are interfere with each other

causing them to cancel each other.

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X-ray Diffraction
X-rays are a form of electromagnetic radiation
that have high energies and short wavelengths
(wavelengths on the order of the atomic
spacings for solids).
When a beam of x-rays impinges on a solid
material, a portion of this beam will be
scattered in all directions by the electrons
associated with each atom or ion that lies
within the beams path.

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Braggs Law
Braggs law provide a simple expression relating
the x-ray wavelength and interatomic spacing to
the angle of the diffracted beam.
n = 2dsin

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Comparison

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Factors

Crystalline Materials

Packing

Atoms pack in
periodic and 3D array

Noncrystalline
Materials
Atoms have no
periodic packing

Materials

Usually in metals,
many ceramics and
some polymers

Usually in complex
structures and rapid
cooling substances

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