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College of Engineering
CRYSTAL
STRUCTURES &
PROPERTIES
Material Science
Prof. Rico T. Pelor
WHY STUDY CRYSTALLINE SOLIDS?
The properties of some materials are directly related to
their crystal structures.
Berryllium Magnesium
Gold Silver
WHY STUDY CRYSTALLINE SOLIDS?
The properties of some materials are directly related to
their crystal structures.
Crystalline ceramics Non crystalline ceramics normally are optically
tend to be opaque transparent.
.
CRYSTAL STRUCTURES & PROPERTIES
ISSUES TO ADDRESS...
• How do atoms assemble into solid structures?
(for now, focus on metals).
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Learning Objectives
After studying this chapter you should be able to do
the following:
1. Describe the difference in atomic/molecular
structure between crystalline and non crystalline
materials.
2. Draw unit cells for face-centered cubic, body
centered cubic, and hexagonal close-packed
crystal structures.
3. Derive the relationships between unit cell edge
length and atomic radius for face-centered cubic
and body-centered cubic crystal structures.
4. Compute the densities for metals having face
centered cubic and body-centered cubic crystal
structures given their unit cell dimensions.
Learning Objectives
After studying this chapter you should be able to do the
following:
5. Given three direction index integers, sketch the
direction corresponding to these indices within a unit
cell.
6. Specify the Miller indices for a plane that has been
drawn within a unit cell.
7. Describe how face-centered cubic and hexagonal
close-packed crystal structures may be generated by
the stacking of close-packed planes of atoms.
8. Distinguish between single crystals and
polycrystalline materials.
9. Define isotropy and anisotropy with respect to
material properties.
ENERGY AND PACKING
• Non dense, random packing
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MATERIALS AND PACKING
Crystalline materials...
• atoms pack in periodic, 3D arrays
• typical of: -metals
-many ceramics
-some polymers crystalline SiO2
Adapted from Fig. 3.18(a),
Callister 6e.
Noncrystalline materials...
• atoms have no periodic packing
• occurs for: -complex structures
-rapid cooling
"Amorphous" = Noncrystalline noncrystalline SiO2
Adapted from Fig. 3.18(b),
Callister 6e.
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Face centered cubic crystal structure
(c) an aggregate of
many atoms
LATTICE
Lattice is a three-dimensional
array of points coinciding with
atom positions (or sphere
centers). A hard sphere unit
cell representation
An aggregate of many
atoms
a reduced-sphere unit cell
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When describing crystalline structures, atoms (or ions) are thought
of as being solid spheres having well-defined diameters.
Crystal system.
A scheme by which crystal structures are classified according to
unit cell geometry.
This geometry is specified in terms of the relationships between
edge lengths and interaxial angles.
There are seven different crystal systems.
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7 CRYSTAL SYSTEM
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7 CRYSTAL SYSTEM
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7 CRYSTAL SYSTEM
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7 CRYSTAL SYSTEM
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7 CRYSTAL SYSTEM
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7 CRYSTAL SYSTEM
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7 CRYSTAL SYSTEM
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ATOMIC PACKING FACTOR
• Coordination # = 6
(# nearest neighbors)
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APF For A Simple Cubic Structure
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APF For A Simple Cubic Structure
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BODY CENTERED CUBIC STRUCTURE (BCC)
• Close packed directions are cube diagonals.
--Note: All atoms are identical; the center atom is shaded
differently only for ease of viewing.
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ATOMIC PACKING FACTOR: BCC
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ATOMIC PACKING FACTOR: BCC
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FACE CENTERED CUBIC STRUCTURE (FCC)
• Close packed directions are face diagonals.
--Note: All atoms are identical; the face-centered atoms are shaded
differently only for ease of viewing.
• Coordination # = 12
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ATOMIC PACKING FACTOR: FCC
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ATOMIC PACKING FACTOR: FCC
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ATOMIC PACKING FACTOR: FCC
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SAMPLE PROBLEM 01
Palladium crystallizes in a face-centered cubic unit cell.
Its density is 12.023 g/cm3. Calculate the atomic radius
of palladium.
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A face-centered unit cell has an atom in the
middle of each face of the cube. The square
represents one face of a face-centered cube:
Solution:
1) Calculate the average mass of one atom of Pd:
106.42 g mol¯1 ÷ 6.022 x 1023 atoms mol¯1
= 1.767187 x 10¯22 g/atom
2) Calculate the mass of the 4 palladium atoms in the face-centered
cubic unit cell:
1.767187 x 10¯22 g/atom times 4 atoms/unit cell
= 7.068748 x 10¯22 g/unit cell
3) Use density to get the volume of the unit cell:
7.068748 x 10¯22 g ÷ 12.023 g/cm3
= 5.8793545 x 10¯23 cm3
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Solution:
4) Determine the edge length of the unit cell:
= 3.88845 x 10¯8 cm
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5) Determine the atomic radius:
r = d ÷ 2(√2)
r = 1.3748 x 10¯8 cm
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SAMPLE PROBLEM 02
The edge length of the unit cell of Ta, is 330.6 pm;
the unit cell is body-centered cubic.
Tantalum has a density of 16.69 g/cm3
(a) calculate the mass of a tantalum atom.
(b) Calculate the atomic weight of tantalum in g/mol
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The edge length of the unit cell of Ta, is 330.6 pm;
the unit cell is body-centered cubic.
Tantalum has a density of 16.69 g/cm3
(a) calculate the mass of a tantalum atom.
(b) Calculate the atomic weight of tantalum in g/mol
4
Solution:
1) Convert pm to cm:
330.6 pm x 1 cm/1010 pm
= 330.6 x 10¯10 cm = 3.306 x 10¯8 cm