BASIC CONCEPTS OF CRYSTAL STRUCTURES

Engr. Camille SC
Solids and Modern Materials
Solids are distinguished from liquids and
gases by the strength of the forces that hold them
together. The intermolecular attractive forces in
solids are stronger than those in liquids or gases.
They hold molecules close together, with very little
space between them. Solid particles have low
kinetic energy, so they cannot move freely,
although they vibrate in place. Because their
particles are closely packed, solids are hard to
compress.
Solids and Modern Materials
Today, we turn to solids to develop our
technology. Engineers widely use solids in almost
all aspects of their fields, from the smallest alloy
screw, to semiconductors, turbines, polymers,
diodes , building structures and even in bio-
engineering.
Solids and Modern Materials
Chemists have contributed to the
discovery and development of new materials
either by inventing new substances or by
developing the means for processing natural
materials to form substances that have specific
electrical, magnetic, optical, or mechanical
properties.
 Classification of Solids
Solids can be classified according to the forces or bonds
that hold their atoms together:
• Metallic Solids
• Ionic Solids
• Covalent-network Solids
• Molecular Solids
 Classification of Solids
Metallic Solids
>These are composed of metal cations held together by a
delocalized "sea" of valence electrons. Because their electrons
are mobile, metallic solids are good conductors of heat and
electricity. These forces also cause metals to be
relatively strong with-out being brittle.
 Classification of Solids
Ionic Solids
>These are composed of cations and anions held together by
electrostatic forces. Due to the strength of these interactions,
ionic solids tend to be hard, brittle and have high melting
points. Ionic solids are poor conductors of electricity except
when their ions are mobile, such as when a solid is melted or
dissolved in solution.
>All salts and most minerals are ionic solids.
 Classification of Solids
Covalent-network Solids
> These are composed of atoms covalently bonded together
into a three-dimensional network or layers of two-dimensional
networks. Due to the strength of the covalent bonds, covalent
network solids have high melting points. This type of bonding
can result in materials that are extremely hard, like diamond,
and it is also responsible for the unique properties of
semiconductors.
 Classification of Solids
Molecular Solids
> These are composed of discrete molecules held together by
intermolecular forces. Because these interactions are relatively
weak, molecular solids tend to be soft and have low to
moderate melting points. Molecular solids are also poor
conductors of electricity because their valence electrons are
tightly held within each individual molecule.
Structure of Solids
Both physical and chemical properties of solids are
directly related to their structures. These
structures are classified into two (2) mainly:
1. Crystalline Solids
2. Amorphous Solids
Structure of Solids
1. Crystalline Solids
A crystal or crystalline solid is a solid
material whose constituents (such as atoms,
molecules, or ions) are arranged in a highly
ordered microscopic structure, forming a crystal
lattice that extends in all directions.
These solids usually have flat surfaces, or
faces, that make definite angles with one another.
Structure of Solids
2. Amorphous Solids
These are non-crystalline solids in which
the atoms and molecules are not organized in a
definite lattice pattern. They do not have the well-
defined faces and shapes of a crystal.
 Crystal Structures
Crystalline Structure Amorphous Structure
Ordered or repeating structure Random atomic arrangement
Long-range order Short-range order
Found in most metals, some ceramics Found in most polymers and some
and some polymers ceramics
All metals are crystalline, except Hg at All materials in liquid state are
room temperature. amorphous, except crystalline polymers
 Crystals
A crystal is any solid material in which the component atoms are
arranged in a definite pattern and whose surface regularity reflects
its internal symmetry
Lattices
A lattice is a 3-D
space filling repeating
pattern on which atoms
are replaced to form a
crystal.
Unit Cell
A unit cell is the
smallest repeated unit that
constitutes the pattern.
Unit Cell
• smallest volume that
completely describes the crystal
pattern
• Lattice constants-edge along the
major axes (a,b,c)
• Internal angles-angles between
axes(α,β,γ)
 Bravais Lattices
• Mathematical derivation of the possible number
of ways of arranging atoms in space
• These lattices are space filling and each lattice
point has exactly the same environment
• There are a total of 14 lattices, and are classified
into 7 crystal systems.
1.Triclinic
2.Monoclinic
3.Orthorhombic
4.Tetragonal
5.Trigonal/Rhombohedral
6.Cubic
7. Hexagonal
Subtypes of Unit Cell
1. Simple/Primitive Cubic
2. Face-Centered Cubic (FCC)
3. Body-Centered Cubic (BCC)
Unit Cells and Basic Structures
Simple/Primitive Cubic-There is only one lattice point at each
corner of the cube-shaped unit cell.
 Unit Cells and Basic Structures
2. Face-Centered Cubic
- The atoms are located at each of the corners and centers of all
the cube faces.
-Each corner atom is shared among eight unit cell, whereas a
face-centered atom belongs to only two.
-A total of four whole atoms may be assigned to a given unit
cell.
 Unit Cells and Basic Structures
Face-Centered Cubic
The cubic length a and atomic radius R are related through
a = 2R

The FCC Unit

volume Vc is
Vc = 16
 Unit Cells and Basic Structures
Face-Centered Cubic
• Coordination number – The number of nearest neighbor of each
atom or touching atoms. For FCC, coordination number is 12.
• Atomic packing factor(APF) – fraction of solid sphere volume in a
unit cell, assuming the atomic hard sphere model. The APF for an
FCC is 0.74, which is the maximum packing possible for spheres all
having the same diameter
 Unit Cells and Basic Structures
Body-Centered Cubic
• A cubic unit cell with atoms located at all eight corners and a single
atom at the cube center.
• Center and corner atoms touch one another along cube diagonals
• Two atoms are associated with each BCC unit cell.
• The unit cell length a and atomic radius R are related through
a=
• The coordination number is 8, and the APF is 0.68
Unit Cells and Basic Structures
Body-Centered Cubic
 PACKING of SPHERES
Close packing in crystals refers to space efficient arrangement of constituent
particles in a crystal lattice.

Three dimensional packing

This is the real structure of the space lattice. It happens due to the three-
dimensional arrangement of the unit cells. Now, this structure forms by the
continuous and repetitive stacking of the two-dimensional structures above
each other. It can also happen in two ways:
1.Hexagonal Closest Packing
2.Cubic Closest Packing
 PACKING of SPHERES
1.Hexagonal Closest Packing
 PACKING of SPHERES
2.Cubic Closest Packing
 PACKING of SPHERES
2.Cubic Closest Packing