The Structure of

Crystalline Solids
Presented By
 Asif Ali(697-FET/BSME/F17)
 M. Ibrahim khan(699-FET/BSME/F17)
 M. Farhan(701-FET/BSME/F17)
 A. Rehman Shahzad(702-FET/BSME/F17)
 Fakher Abbas(703-FET/BSME/F17)
 Crystalline Material
 A crystalline material is one in which the atoms are
situated in a repeating or periodic array over large atomic
distances.

 Long-range order exists, such that upon solidification, the

atoms will position themselves in a repetitive three-
dimensional pattern, in which each atom is bonded to its
nearest-neighbor atoms.

 All metals, many ceramic materials, and certain polymers

form crystalline structures under normal solidification
conditions.
 For those that do not crystallize, this long-range atomic
order is absent; these are non-crystalline or amorphous
materials
Crystal Structure
Lattice and unit cell
Term lattice is used in the context of crystal
structures; in this sense “lattice” means a
three-dimensional array of points
coinciding with atom positions (or sphere
centers).
Term lattice is used in the context of crystal
Structures “lattice” means a three-dimensional
array of points coinciding with atom positions
(or sphere centers).
Lattice and unit cell
Metallic Crystal Structures and
Types
The atomic bonding in this group of
materials is metallic and thus non-
directional in nature.
Different types are as follows:
 The Face-Centered Cubic Crystal
Structure
 The Body-Centered Cubic Crystal
Structure
 The Hexagonal Close-Packed
Crystal Structure
 Face-Centered Cubic
 The face centered cubic structure has atoms located at
each of the corners and the centers of all the cubic faces.
 The FCC unit cell consists of a net total of four atoms;
eight eighths from corners atoms and six halves of the
face atoms
 The packing factor (the volume of atoms in a cell per the
total volume of a cell) is 0.74 for FCC crystals.
 Some of the metals that have the CC structure include
aluminum, copper, gold, iridium, lead, nickel, platinum and
silver.
 For face-centered cubic, the coordination number is 12.
 Two other important characteristics of a crystal structure
are the coordination number and the atomic
packing factor (APF).
Face-Centered Cubic
These spheres or ion
cores touch one another
across a face diagonal the
cube edge length a and
the atomic radius R are
related through
a=2R√2
The face-centered cubic
(fcc) has a coordination
number of 12 and
contains 4 atoms per unit
cell.

F.C.C Crystal Structure

 Body-Centered Cubic
 The body-centered cubic unit cell has atoms at each of
the eight corners of a cube (like the cubic unit cell) plus
one atom in the center of the cube
 It is said to have a coordination number of 8.
 The BCC unit cell consists of a net total of two atoms;
one in the center and eight eighths from corners atoms
 The BCC structure is often the high temperature form of
metals that are close-packed at lower temperatures. The
volume of atoms in a cell per the total volume of a cell is
called the packing factor. The bcc unit cell has a packing
factor of 0.68. Examples are lithium, sodium, potassium,
chromium etc.
Body-Centered Cubic
 B.C.C Crystal Structure.

APF of B.C.C
Crystal
Structure
Center and corner atoms
touch one another along cube
diagonals, and unit cell length a
and atomic radius R are
related through
a=4R/√3
The body-centered cubic (bcc)
has a coordination number of
8 and contains 2 atoms per
unit cell.
 Hexagonal Close Packed
 The hexagonal structure of alternating layers is shifted so its atoms
are aligned to the gaps of the preceding layer. The atoms from one
layer nest themselves in the empty space between the atoms of the
adjacent layer just like in the FCC structure. However, instead of
being a cubic structure, the pattern is hexagonal.
 The HCP structure has three layers of atoms. In each the top and
bottom layer, there are six atoms that arrange themselves in the
shape of a hexagon and a seventh atom that sits in the middle of the
hexagon. The middle layer has three atoms nestle in the triangular
"grooves" of the top and bottom plane.
 The coordination number of the atoms in this structure is 12. There
are six nearest neighbors in the same close packed layer, three in the
layer above and three in the layer below. The packing factor is 0.74,
which is the same as the FCC unit cell. The HCP structure is very
common for elemental metals and some examples include beryllium,
cadmium, magnesium, titanium, zinc and zirconium.
Hexagonal Close Packed
 In hexagonal close
packing, layers of
spheres are packed
so that spheres in
alternating layers
overlie one another.
 The hexagonal
closest packed (hcp)
has a coordination
number of 12 and
contains 6 atoms
per unit cell.

The Hexagonal Close-Packed

Crystal Structure.
POLYMORPHISM AND
ALLOTROPY
 Polymorphism : Existence of substance
into more than one crystalline forms.
Under different conditions of
temperature and pressure, a substance
can form more than one type of crystals.
E.g :Mercuric iodide (HgI) forms two
types of crystals
 Allotropy : Existence of an element into
more than one physical forms E.g: Coal,
lamp black, coke, Diamond, graphite.
POLYMORPHISM AND
ALLOTROPY
POLYMORPHISM AND
ALLOTROPY
 DENSITY COMPUTATIONS

A knowledge of
the crystal
structure of a
metallic solid
permits
computation of its
theoretical
density through
the relationship
 POLYMORPHISM AND
ALLOTROPY
iron system
Two or more distinct
crystal structures for the liquid
same material. 1538ºC
Allotropy-when found in -Fe
BCC
elemental solids.
1394ºC

Titanium FCC -Fe

, -Ti 912ºC
carbon BCC
-Fe
diamond, graphite
 Lattice Parameters
The unit cell geometry is completely
defined in terms of six parameters: the
three edge lengths a, b, and c, and the three
interaxial angles α β and γ. These are
termed the lattice parameters of a
crystal structure.
Lattice Parameter Relationships and Figures Showing Unit
Cell
Geometries for the Seven Crystal Systems
 Crystallographic Points,
Directions, and Planes
 When dealing with crystalline materials, it often
becomes necessary to specify a particular point within a
unit cell, a crystallographic direction, or some
crystallographic plane of atoms.
 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
 For some crystal systems—namely, hexagonal,
rhombohedra, monoclinic, and triclinic—the three axes
are not mutually perpendicular, as in the familiar
Cartesian coordinate scheme.
 Crystalline and
Noncrystalline Materials

 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
 Most crystalline solids are composed of a collection of
many small crystals or grains such materials are termed
polycrystalline. Also, there exists some atomic
mismatch within the region where two grains meet; this
area, called a grain boundary
 Crystalline and
Noncrystalline Materials
 ANISOTROPY
 Anisotropy is the property of being
directionally dependent, which implies
different properties in different directions, as
opposed to isotropy. It can be defined as a
difference, when measured along different
axes, in a material's physical or mechanical
properties (absorbance, refractive
index, conductivity, tensile strength, etc.)
 An example of anisotropy is light coming
through a polarizer. Another is wood, which
is easier to split along its grain than across it.
 Crystalline and
Noncrystalline Materials and ANISOTROPY
X-RAY DIFFRACTION: DETERMINATION OF
CRYSTAL STRUCTURES

 X-rays are still very important in

developing new materials.
 Using x-rays, atomic interplanar distances
and crystal structures are deduced.
The Diffraction Phenomenon
 Diffraction occurs when a wave
encounters a series of regularly spaced
obstacles that
 (1) are capable of scattering the wave,
 (2) have spacings that are comparable in
magnitude to the wavelength.
Bragg’s Law
 Bragg’s Law contd
 The incoming beam (coming from upper left) causes each scatterer to
re-radiate a small portion of its intensity as a spherical wave. If
scatterers are arranged symmetrically with a separation d, these
spherical waves will be in sync (add constructively) only in directions
where their path-length difference 2d sin θ equals an integer multiple
of the wavelength λ. In that case, part of the incoming beam is
deflected by an angle 2θ, producing a reflection spot in the diffraction
pattern. A regular array of scatterers produces a regular array of
spherical waves. Although these waves cancel one another out in most
directions through destructive interference, they add constructively in
a few specific directions, determined by Bragg's law:
2dhklsinθ =nλ
 Where dhkl= a/(h2 + k2 + l2)1/2
Is the miller indices spacing
NONCRYSTALLINE SOLIDS
 Noncrystalline solids lack a systematic
and regular arrangement of atoms over
relatively large atomic distances. Sometimes
such materials are also called amorphous
(meaning literally without form).
Structure Vibrations

Comparison
THE END