Materials Science and Materials

Engineering (or Engineering Materials)

Bonding and Structure

of Engineering
Materials (Part 2)
Engr. Mary Jane C. Calagui,PhD
CSU – College of Engineering
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 Crystal Structures-is the manner in which
atoms, ions or molecules are spatially arranged.
• Crystalline material is one in which the atoms are
situated in a repeating or periodic array over large
atomic distances, that is, long range order, 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 atom.
• Non-crystalline or amorphous do not crystallize
and long range atomic order is absent.

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• Unit cell is small repeat entities

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Major Metallic Crystal Structures
(Face Centered Cubic - FCC)
 Unit cell (UC) has 8 corner
atoms and one in each
face of 6 faces. It has 4
unit cells: 1 atoms from
the 8 corners shared by 8
unit cell and the 6 faces
shared by 2 atom. APF,or
volume of atoms of UC
divided by volume of the
unit cell is 0.74.

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Major Metallic Crystal Structures
(Body Centered Cubic - BCC)
 UC has 8 corner
atoms and one in
the middle body. It
has two unit cells
equivalent to one
atoms from the 8
corners shared by 8
unit cell and the
single center atom.
Atomic packing
factor is 0.68.

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Major Metallic Crystal Structures
(Hexagonal Closed Packed - HCP)
 Top and bottom faces of
UC has 6 atoms forming
regular hexagons and
surround single atom at
the center. Between these
faces is another plane of
three additional atoms to
the unit cell. Thus, 1/6 of
each of the 12 top and
bottom face corner atoms,
1/2 of each of the single
face atoms and the three
midplane interiors or total
of 6 atoms/ UC. APF is
0.74.
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 FCC, BCC and
HCP Structure

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 Density Measurements - metals

Where n = number of atoms associated with each unit cell

A = atomic weight
Vc = volume of unit cell
NA = avogadro’s number (6.023 X 1023 atoms/mole)
Problem: Copper has a atomic radius of 1.28 Ao, an FCC crystal
with atomic wt of 63.5 g/mol. Compute its density.

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 Density Measurements - ceramics

Where n’ = number of atoms associated with each unit cell

Ac = sum of atomic weight of all cations in the formula unit
Aa = sum of atomic weight of all anions in the formula unit
Vc = volume of unit cell
NA = avogadro’s number (6.023 X 1023 formula units/mole)

Problem: Calculate the theoretical density of NaCl. Given that

ANa = 22.99 g/mole; Acl = 35.45 g/mol
rNa = 0.102 nm ; 2rCl = 0.181 nm

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Sample problems:
1. Calculate the volume and APF of an FCC
unit cell in terms of the atomic radius R.
2. Calculate the volume and APF of an BCC
unit cell in terms of the atomic radius R.
3. Iron has a BCC crystal structure, an atomic
radius of 0.124nm and an atomic weight of
55.85 g/mol. Compute its density
4. Niobium has an atomic radius of 0.1430 nm
and a density of 8.57 g/cm3. Determine
whether it has an FCC or BCC crystal
structure.

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 Crystal System
A unit cell with x, y, and z coordinate axes showing axial length (a,b, and
c) and interaxial angles (α, β, and γ)

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 Crystal Systems

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Crystal Systems

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Allotropic Transformation of Tin

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Crystallographic Points, Directions
and Planes

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Point Coordinates

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Ex. 1. Locate the points
having coordinates [ ¼ 1 ½ ]

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 Ex. 2. Specify point coordinates for all atom
positions for a BCC unit cell

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Crystallographic Directions – a line between 2
points

Steps:

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 Examples:
1. Determine the directional indices shown
in the figure:

_
2. Draw a [1,1,0]
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 Crystallographic planes – specified
by three Miller indices (h,k,l)
Any two planes parallel to each other are equivalent
and have identical indices.

Steps:

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Ex. Determine the Miller indices accompanying
the sketch below.

_
2.Construct a (011) within a unit cell.
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Representations of a)001 b)110 c)111

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Determine the indices for the directions shown below:

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