RAISE YOUR

HAND if you are

ready to listen
for the next topic
Chapter 3-
 CRYSTAL STRUCTURES &
PROPERTIES

ISSUES TO ADDRESS...
• How do atoms assemble into solid structures?

• How does the density of a material depend on

its structure?

• When do material properties vary with the

sample (i.e., part) orientation?

Chapter 3- 1
 ENERGY AND PACKING
• Non dense, random packing Energy

typical neighbor
bond length

typical neighbor r
bond energy

• Dense, regular packing Energy

typical neighbor
bond length

typical neighbor r
bond energy

Dense, regular-packed structures tend to have

lower energy.
Chapter 3- 2
 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.

Si Oxygen
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.

Chapter 3- 3
 METALLIC CRYSTALS
• tend to be densely packed.
• have several reasons for dense packing:
-Typically, only one element is present, so all atomic
radii are the same.
-Metallic bonding is not directional.
-Nearest neighbor distances tend to be small in
order to lower bond energy.

• have the simplest crystal structures.

We will look at three such structures...

Chapter 3- 4
 SIMPLE CUBIC STRUCTURE (SC)
• Rare due to poor packing (only Po has this structure)
• Close-packed directions are cube edges.

• Coordination # = 6
(# nearest neighbors)

(Courtesy P.M. Anderson)

Chapter 3- 5
 ATOMIC PACKING FACTOR
Volume of atoms in unit cell*
APF =
Volume of unit cell
*assume hard spheres
• APF for a simple cubic structure = 0.52
volume
atoms atom
a 4
unit cell 1 (0.5a)3
3
R=0.5a APF =
a3 volume
close-packed directions
unit cell
contains 8 x 1/8 =
1 atom/unit cell
Adapted from Fig. 3.19,
Callister 6e. Chapter 3- 6
 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.

• Coordination # = 8

Adapted from Fig. 3.2,

Callister 6e.

(Courtesy P.M. Anderson) Chapter 3- 7

 ATOMIC PACKING FACTOR: BCC
• APF for a body-centered cubic structure = 0.68
Close-packed directions:
length = 4R
= 3a
Unit cell contains:
1 + 8 x 1/8
= 2 atoms/unit cell
R
Adapted from a
Fig. 3.2,
Callister 6e. atoms volume
4
unit cell 2 ( 3a/4)3
3 atom
APF =
volume
a3
unit cell
Chapter 3- 8
 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

Adapted from Fig. 3.1(a),

Callister 6e.

(Courtesy P.M. Anderson)

Chapter 3- 9
 ATOMIC PACKING FACTOR: FCC
• APF for a body-centered cubic structure = 0.74
Close-packed directions:
length = 4R
= 2a
Unit cell contains:
6 x 1/2 + 8 x 1/8
= 4 atoms/unit cell
a
Adapted from
Fig. 3.1(a),
Callister 6e. atoms volume
4
unit cell 4 ( 2a/4)3
3 atom
APF =
volume
a3
unit cell
Chapter 3- 10
 HEXAGONAL CLOSE-PACKED
STRUCTURE (HCP)
• ABAB... Stacking Sequence
• 3D Projection • 2D Projection

A sites
Top layer
B sites
Middle layer
A sites
Bottom layer
Adapted from Fig. 3.3,
Callister 6e.

• Coordination # = 12
• APF = 0.74

Chapter 3- 12
Chapter 3-
 DEMO: HEATING AND
COOLING OF AN IRON WIRE
The same atoms can
• Demonstrates "polymorphism" have more than one
crystal structure.
Temperature, C
Liquid
1536
BCC Stable
1391
longer
heat up
FCC Stable
shorter!
914 longer!
BCC Stable
cool down
Tc 768 magnet falls off
shorter
Chapter 3- 22
 THEORETICAL DENSITY, 

# atoms/unit cell Atomic weight (g/mol)

 nA
Volume/unit cell VcNA Avogadro's number
(cm3/unit cell) (6.023 x 10 23 atoms/mol)

Example: 1. Copper
2. Chromium
3. Gold

Chapter 3- 14
Data from Table inside front cover of Callister (see
next slide):
• crystal structure = FCC: 4 atoms/unit cell
• atomic weight = 63.55 g/mol (1 amu = 1 g/mol)
• atomic radius R = 0.128 nm (1 nm = 10 -7cm)

Vc = a3 ; For FCC, a = 4R/ 2 ; Vc = 4.75 x 10-23cm3

Result: theoretical Cu = 8.89 g/cm3

Compare to actual: Cu = 8.94 g/cm3

Chapter 3-
Characteristics of Selected Elements at 20C
At. Weight Density Crystal Atomic radius
Element Symbol (amu) (g/cm3) Structure (nm)
Aluminum Al 26.98 2.71 FCC 0.143
Argon Ar 39.95 ------ ------ ------
Barium Ba 137.33 3.5 BCC 0.217
Beryllium Be 9.012 1.85 HCP 0.114
Boron B 10.81 2.34 Rhomb ------ Adapted from
Table, "Charac-
Bromine Br 79.90 ------ ------ ------ teristics of
Cadmium Cd 112.41 8.65 HCP 0.149 Selected
Elements",
Calcium Ca 40.08 1.55 FCC 0.197 inside front
Carbon C 12.011 2.25 Hex 0.071 cover,
Cesium Cs 132.91 1.87 BCC 0.265 Callister 6e.
Chlorine Cl 35.45 ------ ------ ------
Chromium Cr 52.00 7.19 BCC 0.125
Cobalt Co 58.93 8.9 HCP 0.125
Copper Cu 63.55 8.94 FCC 0.128
Flourine F 19.00 ------ ------ ------
Gallium Ga 69.72 5.90 Ortho. 0.122
Germanium Ge 72.59 5.32 Dia. cubic 0.122
Gold Au 196.97 19.32 FCC 0.144
Helium He 4.003 ------ ------ ------
Hydrogen H 1.008 ------ ------ ------ Chapter 3- 15
DENSITIES OF MATERIAL CLASSES
Graphite/
metals ceramics polymers Metals/
Alloys
Ceramics/ Polymers
Composites/
fibers
Semicond
30
Why? Based on data in Table B1, Callister
Platinum *GFRE, CFRE, & AFRE are Glass,
Metals have... 20 Gold, W
Tantalum Carbon, & Aramid Fiber-Reinforced
• close-packing Epoxy composites (values based on
60% volume fraction of aligned fibers
(metallic bonding) 10 Silver, Mo
Cu,Ni
in an epoxy matrix).

 (g/cm3)
Steels
• large atomic mass Tin, Zinc
Zirconia
Ceramics have... 5
Titanium
4 Al oxide
• less dense packing Diamond
3 Si nitride
(covalent bonding) Aluminum Glass-soda
Concrete
Glass fibers
Silicon PTFE GFRE*
• often lighter elements 2 Magnesium Carbon fibers
Graphite CFRE*
Silicone
Polymers have... PVC
PET
Aramid fibers
AFRE*
PC
• poor packing 1 HDPE, PS
PP, LDPE
(often amorphous)
• lighter elements (C,H,O) 0.5 Wood
Composites have... 0.4
0.3
• intermediate values Data from Table B1, Callister 6e.
Chapter 3- 16
 SUMMARY

• Atoms may assemble into crystalline or

amorphous structures.
• We can predict the density of a material,
provided we know the atomic weight, atomic
radius, and crystal geometry (e.g., FCC,
BCC, HCP).

Chapter 3- 23