MME 195

MATERIAL ENGINEERING - I

MD. MUKTADIR BILLAH, Ph.D. (MSE,, UCF, USA)

Professor
MME, BUET
 The Structure of
Crystalline Solids
TOPIC 2 Ref. Materials Science and Engineering
An Introduction, Eighth Edition,
William D. Callister, Jr. and David G.
Rethwisch (Chapter 3)
 Lattice and Crystal
Structure
• Crystal structure means regular
arrangement of atoms or molecules.
“Regular” implies existence of
something that repeats itself,
“arrangement” implies presence of a
pattern.
• It is convenient to ignore actual atoms
composing the crystal and their
periodic arrangement in space, and to
think instead of a set of imaginary
points which has a fixed relation in
space to the atoms of the crystal and
which may be regarded as a sort of
framework or skeleton on which the
actual crystal is built.
 Unit Cell
• Since all the cells of the lattice
shown are identical, we may
choose any one as a unit cell.
• The size and shape of the unit
cell can in turn be described by
the three vectors a, b, and c
drawn from one corner of the
cell taken as origin.
• These vectors define the cell
and are called the
crystallographic axes of the cell.
• They may also be described in
terms of their lengths (a, b, c)
and the angles between them
(α, β, γ).
• These lengths and angles are
the lattice constants or lattice
parameters of the unit cell.
The Four 2-D
Crystal Systems
• If we take arbitrary values for all
three parameters, then we end up
with oblique net {a, b, γ}.
• When γ = 90◦, the unit cell of a net
becomes a rectangle {a, b, γ = 90◦}.
• When a = b and γ = 90◦, the unit cell
of a net becomes a square {a, a, γ =
90◦}.
• When a = b and γ = 60◦, the unit cell
of a net becomes a hexagonal {a, b,
γ = 60◦}.
THE SEVEN
3-D
CRYSTAL
SYSTEMS
 THE SEVEN
3-D CRYSTAL
SYSTEMS:
TRICLINIC/
ANORTHIC
 THE SEVEN
3-D CRYSTAL
SYSTEMS:
MONOCLINIC
 THE SEVEN
3-D CRYSTAL
SYSTEMS:
HEXAGONAL
 THE SEVEN
3-D CRYSTAL
SYSTEMS:
RHOMBOHEDRAL/
TRIGONAL
 THE SEVEN
3-D CRYSTAL
SYSTEMS:
ORTHORHOMBIC
 THE SEVEN
3-D CRYSTAL
SYSTEMS:
TETRAGONAL
 THE SEVEN
3-D CRYSTAL
SYSTEMS:
CUBIC
SYMMETRY
ELEMENTS
Cubic Crystal System
Cubic Crystal System
Cubic Crystal System
Cubic Crystal System
Cubic Crystal System
Cubic Crystal System
Cubic Crystal System
Cubic Crystal System
Cubic Crystal System
Cubic Crystal System
Cubic Crystal System
Cubic Crystal System
Cubic Crystal System
Cubic Crystal System: Van der Waals Surface
cP, tP & oP Crystal System (Pearson symbol)
cP, tP & oP Crystal System (Pearson symbol)
The Five 2-D Bravais Nets
The Fourteen 3-D Bravais Nets
The Fourteen 3-D Bravais Nets
The Fourteen 3-D Bravais Nets
 Atomic Packing Factor
• The filling factor of a crystal structure is defined as the fraction of the total crystal
volume filled with atoms considered hard spheres.
• Sometimes instead of filling factor the expressions “atomic packing factor” or
“packing fraction” are used.
• The filling factor gives us an idea how close “the atoms are packed” in the crystal
structure.
• In conclusion, the filling factor together with the coordination number give us an idea
about the degree of filling the crystal volume with atoms, and, at the same time, tells us
how close the atoms in a crystal are packed.
Atomic Packing Factor
SC
Atomic Packing Factor
BCC SC
Atomic Packing Factor
BCC FCC SC
 Nearest Neighbor (NN = 6)

SC
 Next Nearest Neighbor (NNN = 12)

SC
 NN = 8 & NNN = 6

BCC
 NN = 12 & NNN = 6

FCC
Simple Cubic Crystal
 Crystallographic Points,
Directions and Planes
TOPIC 3 Ref. Materials Science and Engineering
An Introduction, Eighth Edition,
William D. Callister, Jr. and David G.
Rethwisch (Chapter 3)
Points, Directions and Planes
• Miller indices are used to specify directions and planes.
• These directions and planes could be in lattices or in crystals.
• Indices of crystallographic points, directions, and planes are given in
terms of the lattice constants of the unit cell.
• For points and directions, consider the indices to be coefficients of the
lattice constants.
• Only need to invert the indices for planes.
• It is essential to label axes, lattice constants, and identifying information
for directions (vector arrowhead) and planes (axes intercepts) in order
to receive full credit.
Points

• Labeling points in a unit cell follows the same procedure for listing points
in any Cartesian coordinate system.
• The indices used to refer to points are q, r, and s.
• They are listed without commas, parentheses, or brackets.
• Consider point P, in Figure.
• If you were standing at the origin of the unit cell, you could travel q · a in
the x-direction, r · y in the y-direction, and s · c in the z-direction to get to
point P.
• Thus, we point P corresponds to the q r s point coordinates.
Points
To find q, r, and s when you are shown a drawing with a point:
• Start with your pencil at the origin.
• Count the number lattice constants you must move in the x-, y-, and z-
directions to reach the point.
• Write the point as q, r, s without parentheses, or brackets.
• Do not convert the coordinates to reduced integers. The point in the
BCC structure is not the same as the 1 1 1 point.
Points
Points
Directions
To draw a direction given the [u v w] indices:
• Choose a point for the origin of your vector.
• Simple directions are easy to draw using the 0 0 0 crystallographic point
as the origin.
• For more complicated directions, it is more convenient to translate
(add or subtract) or scale (multiply or divide) the indices of the direction.
• If you translate your origin to the point 0 0 1 for example, the tail of
your direction vector will be at this point.
• Start with your pencil on your chosen origin.
• Move your pencil u · a in the x-direction, v · b in the y-direction, and w ·
c in the z-direction.
• If u, v, or w, are negative, move in the negative direction on that axis.
• Draw and label a point.
• Draw a line from your chosen origin to the point you just drew.
• Add an arrowhead at the point.
Directions

• It is extremely important when drawing directions that you label the

point that lies at the end of your direction vector.
• It is also highly preferred that you shift the origin and scale of the
direction vector so that it is contained inside the unit cell.
• If you shifted the origin, a way to check that you drew your direction
properly is to subtract the point coordinates of the arrowhead from those
of its tail.
• The resulting indices should be [u v w].
Directions
To write the [u v w] indices given a drawing of a direction:
• Place your pencil at the tail of the given vector.
• Count how many lattice constants you must move in the x-, y-, and z-directions
to reach the head of the vector.
• Write them down. Be mindful of negatives.
• If necessary, multiply by a common number to make the indices integers.
• Rewrite the indices and enclose them in square brackets [u v w].
Family of Directions

• Directions having similar

indices are equivalent, e.g.,
faces of the cube [1 0 0], [0 1
0] and [0 0 1].
• This is termed as a family of
planes and denoted as <1 0
0> which includes all the [1 0
0] combinations including
negative indices.
Directions
Directions
Directions
Directions
Planes
To draw a plane given the (h k l) indices:
• Find the reciprocal of (h k l). If one or more of the indices is zero, consider the
reciprocal to be infinity. The values and are the intercepts of the x-, y-, and
z-axes, respectively. If one or more intercept is infinity, this means that the plane
will never intercept that axis (it is parallel to that axis). For the (2 2 1) plane, the
reciprocals would be,
• For all non-zero indices, draw a point on the x-axis at , a point on the y-axis
at , and a point on the z-axis at .
• Connect the dots.
Planes
To list the (h k l) indices given a drawing of a plane:
• Check to see if the plane goes through the origin. If not, proceed to step 2. If it
does, shift the plane 1 lattice constant in an axis such that it no longer passes
through the origin. This new plane is equivalent to the first.
• Find the coefficients by which you would multiply the lattice constants to
identify where the plane intercepts the x-, y-, and z-axes. Be mindful of negative
intercepts. If the plane doesn’t intercept an axis (it is parallel to that axis), call the
intercept infinity. Write down these values.
• Take the reciprocal of these intercepts. If necessary, multiply or divide by a
common number to put the indices in the most reduced integer form. Sometimes
you will be asked to leave the indices unreduced - for example, (2 2 0) instead of
(1 1 0) - for use in x-ray diffraction questions.
• Enclose the indices in parentheses without commas (h k l). It is extremely
important when drawing planes that you label where the plane intersects the
axes.
Planes
Planes
 • Planes having similar indices are equivalent, e.g. faces of the cube
(1 0 0), (0 1 0) and (0 0 1). This is termed as a family of planes and
denoted as {1 0 0} which includes all the (1 0 0) combinations
including negative indices.
• Thus, planes of {1 0 0} are (1 0 0), (0 1 0), (0 0 1), ( 0 0), (0 0)
and (0 0 ).

Family of • So, multiplicity factor for {1 0 0} is 6.

• Multiplicity factor for {1 1 0} is 12 and the planes are (1 1 0), (1 0
Planes/ 1), (0 1 1), ( 1 0), ( 0 1), (0 1), (1 0), (1 0 ), (0 1 ), (
0 ) and (0 ).
0), (

Multiplicity • Multiplicity factor for {1 1 1} is 8 and the planes are (1 1 1), ( 1 1),
(1 1), (1 1 ), ( 1), ( 1 ), (1 ) and ( ).
Factor
{100} and {110} Planes
Planes

Planes
Planes

Planes
 Crystallographic Points,
Directions and Planes
TOPIC 3 Ref. Materials Science and Engineering
An Introduction, Eighth Edition,
William D. Callister, Jr. and David G.
Rethwisch (Chapter 3)
INTERSTITIAL SITES: TETRAHEDRAL
INTERSTITIAL SITES: OCTAHEDRAL
EFFECT OF RADIUS RATIO: STABILITY
 FCC: OCTAHEDRAL VOID

½ 0 0 and equivalent ½½½

positions
• 4 atoms/unit cell
• 4 octahedral sites/unit cell
• 1 octahedral sites/atom
FCC: TETRAHEDRAL VOID

¼ ¼ ¼ and equivalent
positions
• 4 atoms/unit cell
• 8 tetrahedral sites/unit cell
• 2 tetrahedral sites/atom
 BCC: OCTAHEDRAL VOID

½ 0 0 and equivalent ½ ½ 0 and equivalent

positions positions
• 2 atoms/unit cell
• 6 octahedral sites/unit cell
• 3 octahedral sites/atom
BCC: TETRAHEDRAL VOID

½ ¼ 0 and equivalent
positions
• 2 atoms/unit cell
• 12 tetrahedral sites/unit cell
• 6 tetrahedral sites/atom