PRESENTATION

STRUCTURE OF CRYSTALLINE SOLID

Basit Jamil
INTERNATIONAL ISLAMIC UNIVERSITY ISLAMABAD (IIUI),PAKISTAN
Crystalline Material And Their
Structure
 A structure in which atoms are arranged in specific order or in a
repeating or periodic array over large atomic distances or in short
ordered arrangements of atoms in a structure.
 Some properties of crystalline material depends on the crystalline
structure that is how atoms are arranged because there are large
no of different crystal structure exists in a structure all having large
atomic order.
 Atoms are thought as solid sphere (of well defined diameter)
“atomic hard sphere model” .
 Lattice : Three dimensional array of points coinciding with atomic
positions.
 Unit Cell : The basic structural element of the crystal
structure that defines the crystal structure by virtue of its
geometry and the atomic positions within.
Metallic Crystal Structure:
The structures possessed by various metals are classified as:
1. FCC (Faced Centered Cubic Crystal Structure)
2. BCC(Body Centered Cubic Crystal Structure)
3. HCP(Hexagonal Closed Packed Crystal Structure)

1.FCC (Faced Centered Cubic Crystal Structure)

The crystal structure for many metals is FCC. This structure contains 4 atoms over
their unit cell. Their APF is 0.78 (max) and coordination number is 12. The side of their
unit cell can be related as :
a=2R 2
 Ceramic Material Structures:
Composed of at least two atoms or often more. May be totally
ionic or covalent or may contain percent ionic character that
depends upon the electronegativities of the atoms. Upon dominancy
of ionic bonding anions and cations are formed.
Two characteristics of component ions in crystalline ceramics
influence their structure :
1. magnitude of charge on each of the component ion.
2. Relative size of attached component ions characterize by rc / ra
.
Ist ensures the electrical stability while second ensures mutual
stability during their attraction. This rc / ra is responsible for
coordination number of cation and anions.
Consult Table 3.3 .
The Body-Centered Cubic Crystal
Structure (BCC)
 This types of crystal structure has unit cell of cubic geometry,like
FCC.
 Atoms are located at each corners and one atom is at the
center of cube.
 Center and corner atoms touch one another along cube
diagonals.(see figure 3.2a)
 Chromium,iron,tungsten,as well as several other metals exhibit a
BCC structure.
 Unit cell length a and atomic radius R are related through
𝟒𝑹
𝒂=
𝟑
 the equivalent of one atom from the eight corners, each of
which is shared among eight unit cells, and the single center
atom, which is wholly contained within its cell.
 The total number of (BCC) unit cell has two atoms.
 Coordination number of (BCC) unit cell is 8.
 Atomic packing factor(APF) of (BCC) is 0.68 that is less than (FCC)
which is 0.74.
The Hexagonal Close-Packed Crystal
Structure(HCP)
 This types of crystal structure has unit cell of hexagonal geometry.
 The top and bottom faces of the unit cell consist of six atoms that
form regular hexagons and surround a single atom in the center.(see
fig 3.3a).
 One-sixth of each of the 12 top and bottom face corner atoms, one-
half of each of the 2 center face atoms, and all 3 midplane interior
atoms.
 The coordination number for the HCP crystal structure are the same
as for FCC:12
 Atomic packing factor for the HCP crystal structure are the sane as
for FCC is 0.74.
 The HCP metals include cadmium, magnesium, titanium, and zinc.
• Atomic packing factor(APF)
The APF is the sum of the sphere volumes of all atoms within a unit
cell divided by the unit cell volume.
𝑣𝑜𝑙𝑢𝑚𝑒 𝑜𝑓 𝑎𝑡𝑜𝑚𝑠 𝑖𝑛 𝑢𝑛𝑖𝑡 𝑐𝑒𝑙𝑙
𝐴𝑃𝐹 =
𝑣𝑜𝑙𝑢𝑚𝑒 𝑜𝑓 𝑢𝑛𝑖𝑡 𝑐𝑒𝑙𝑙
3.5 DENSITY COMPUTATIONS

 A knowledge of the crystal structure of a metallic solid permits

computation of its theoretical density through the relationship
𝑛𝐴
𝑑=
𝑉𝑐 𝑁𝐴
 N=number of atom associated with each unit cell.
 A = atomic weight
 𝑁𝐴 =Avogadro’s number (16.023 X 1023 atoms/mol2)
 𝑉𝑐 = volume of the unit cell
3.6 POLYMORPHISM AND ALLOTROPY

 POLYMORPHISM
The substance existing more then one crystalline form is called
polymorphous substance and the phenomena as polymorphism.
e.g.Nacl is found in cubic and octahedral.

 Allotropy
It is the ability of substance to exist in more then one form in the same
crystalline state.
e.G pure iron has a BCC crystal structure at room temperature, which
changes to FCC iron at 912 celcius.
3.7 CRYSTAL SYSTEMS
 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 are
These are indicated in Figure 3.4, and are sometimes termed the lattice
parameters.
Crystallographic Points, Directions,
and Planes
3.8 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 (i.e., in terms of a, b,and c).

 The position of P in terms of the generalized coordinates q,r,and s where

q is some fractional length of a along the x axis,r is some fractional
length of b along the y axis,and similarly for s.
 Thus,the position of P is designated using coordinates q r s with values
that are less than or equal to unity.
CRYTALLOGRAPHIC PLANES:
Miller indices:
 Mathematical notion to represent directions of plane
 (h k l) represent plane
 Where h,k,l represents x,y and z axis reciprocal respectively.
3.9 CRYSTALLOGRAPHIC DIRECTIONS

 A crystallographic direction is defined as a line between two points, or a

vector.
3.11 LINEAR AND PLANAR DENSITIES
 LINEAR DENSITY
Linear density (LD) is defined as the number of atoms per unit length whose
centers lie on the direction vector for a specific crystallographic direction.
𝑛𝑜 𝑜𝑓 𝑎𝑡𝑜𝑚𝑠 𝑐𝑒𝑛𝑡𝑒𝑟𝑒𝑑 𝑜𝑛 𝑡ℎ𝑒 𝑑𝑖𝑟𝑒𝑡𝑖𝑜𝑛 𝑣𝑒𝑐𝑡𝑜𝑟
LD=
𝑙𝑒𝑛𝑔𝑡ℎ 𝑜𝑓 𝑑𝑖𝑟𝑒𝑐𝑡𝑖𝑜𝑛 𝑣𝑒𝑐𝑡𝑜𝑟
 Planar density (PD) is taken as the number of atoms per unit area that
are centered on a particular crystallographic plane.
𝑛𝑢𝑚𝑏𝑒𝑟 𝑜𝑓 𝑎𝑡𝑜𝑚 𝑐𝑒𝑛𝑡𝑒𝑟𝑒𝑑 𝑜𝑛 𝑡ℎ𝑒 𝑝𝑙𝑎𝑛𝑒
PD=
𝑎𝑟𝑒𝑎 𝑜𝑓 𝑝𝑙𝑎𝑛𝑒
Crystalline and Noncrystalline
Materials
3.13 SINGLE CRYSTALS
• 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.see fig 3.16
3.14 POLYCRYSTALLINE
MATERIAL
• polycrystalline
Most crystalline solids are composed of a
collection of many small crystals or grains; such
materials are known as polycrystalline.
• Grain
Small crystals of different size that join to make a
large crystal(polycrystalline) is called a grain.
• Grain boundary
The area where the two grain meet is called
grain boundary.
Polycrystalline
Pyrite Grain
3.15 ANISOTROPY
• A substance which shows different intensity of
properties on in different direction is called is called
anisotropic and this property is called as anisotropy.
• For example;graphite exits in the form of layer,so it is
conductor in one direction,parallel to the layer but
insulator across the layers.
3.16 X-RAY DIFFRACTION & Bragg’s Law
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.
• 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 beam’s path.
Derivation of bragg’s law
Constructive interference of the scattered rays of both occurs also
at an angle to the planes, if the path length difference between is
equal to a whole number,𝑛𝜆, of wavelengths.

𝑛𝜆 = 𝑆𝑄 + 𝑄𝑇
𝑆𝑄=𝑑ℎ𝑘𝑙 sin 𝜃
𝑄𝑇=𝑑ℎ𝑘𝑙 sin 𝜃
𝑛𝜆 = 𝑑ℎ𝑘𝑙 sin 𝜃 + 𝑑ℎ𝑘𝑙 sin 𝜃
n𝜆 = 2𝑑ℎ𝑘𝑙 sin 𝜃
Diffraction technique
• The diffractometer is an apparatus used to
determine the angles at which diffraction
occurs for powdered specimens.
3.17 NONCRYSTALLINE SOLID
• 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), or supercooled
liquids.Their atomic structure resembles that of a liquid.
THANK YOU