Crystal structure

Learning Objective
Students should be able to: Differentiate between crystalline, noncrystalline, single crystal and polycrsytal. Derive the relationship between unit cell edge length and atomic radius for face centered and body centered cubic Compute density and atomic packing factors for crystal Specify the miller indices for crystallography plane and direction Relate the crystal structure with material properties

Fundamental Concept
a crystal structure is a unique arrangement of atoms in a crystal. Composed of a unit cell

 Formation crystal structure depends

Chemistry of fluid Condition under which is being solidified Ambient pressure

Crystallization-Process forming crystalline structure.

Crystal Structure
Crystal structure

Crystalline Material

Noncrsytalline material (Amorphous)

Single Crystal

polycrystal

Crystalline Material
Crystalline material- atoms, molecules or ion packed in a regularly ordered, repeating pattern, extending in 3 spatial dimension.

Single crystal -the periodicity of the pattern extends throughout a certain piece of material. Polycrystalline material- comprised of many single crystal or grain

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

grains

Polycrystalline material

Crystalline

Amorphous

SINGLE VS POLYCRYSTALS
Single Crystals
-Properties vary with direction: anisotropic. -Example: the modulus of elasticity (E) in BCC iron:

Polycrystals
-Properties may/may not vary with direction. -If grains are randomly oriented: isotropic.
(Epoly iron = 210 GPa) 200 mm

-If grains are textured, anisotropic.

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Unit cell
Unit cell - smallest structural unit or building block that can describe the crystal structure. Repetition of the unit cell generates the entire crystal. Primitive unit cell- smallest possible unit cell one can construct. Lattice parameters- spacing between unit cells in various direction.

Unit Cells?

Concept test
which one is unit cell

Crystal system
Point group of lattice 7 unique crystal system
Cubic Hexagonal Tetragonal Rhombohedral Orthorhombic Monoclinic Triclinic

By adding additional lattice point to 7 basic shapes form 14 Bravais lattice

Crystal system

Metallic crystal structure

Most found crystal structure in common metal
Body centered cubic (BCC) Face centered Cubic (FCC) Hexagonal close-packed (HCP)

Simple cubic (SC)

one lattice point at each of the eight corners
a= lattice parameter a=2r n= no. of atom per unit cell n= 1 coordination no : no of adjacent atom that touch atom at lattice point

=6

 Body Centered Cubic (BCC)

4r 3

n=2

coordination no: 8

 Face Centered Cubic (FCC)

a 2r 2

n= 4 coordination no = 12

 Hexagonal Close Packed Structure

c/a =1.633

Atomic Packing Factor (APF)

Efficiency of atomic arrangement in a unit cell.
no. of atom x vol.of sphere APF vol. of unit cell nVs Vc

Exercise: calculate APF for SC,BCC and FCC crystal structure

Theoretical density

no. of atom x atomic weight (g/mol)

3

vol. of unit cell(cm /unit cell) x no.avogadro' s nA Vc N A

ex; If a hypothetical metal crystalline with BCC crystal structure. Calculate its density. Given A= 26.98 amu/atom, atomic diameter 0.286nm

Polymorphism allotropic transformation

the ability of a solid material to exist in more than one form or crystal structure. Example: Carbon and iron

Allotropy: Carbon

Graphite

Diamond

Allotropy : iron

Crystallography Direction and Plane

(by using miller indices)

Crystallography direction
Line between two point or a vector Axis x y 1 0 1 1 z 1 1 0 O] Head (H) 0 Tail (T) 0

Projection 0 (H-T) Enclosed [O

Enclosed in square bracket

Lets do another example

Axis x y 1 - -1
1

z 0 1 -1 -2
2]

Head (H) 1 Tail (T) 0

Projection 1 (H-T) Reduction 2 (x 2) Enclosed [ 2

Try it by yourself!!
Axis Head (H) Tail (T) Projection (H-T)
(0,0,0)

Reduction (x ) Enclosed [

You have to come to the class to get more examples.

Crystallography Plane
The procedure:
1. If the plane passes through the selected origin
Another parallel plane must be constructed OR Establish new origin

2.
3. 4. 5.

Determine either the plane is intersects or parallels with three axes.

Get the reciprocals. If necessary, reduce the number. Enclosed with parentheses , ( ) Remember the integer in enclosure is not separated by commas

Example:
Axis
Intercepts reciprocals Reduction
(if necessary)

y
1 1 1

0 ( 0

0 0)

Enclosed
Reciprocal: 1/(value)

Example 2:
Axis Intercepts x 1 y 1 z

reciprocals
Reduction
(if necessary)

1
-

0
-

Enclosed

( 1 1

0)

Try it by yourself!!
Axis Intercepts x y z

reciprocals
Reduction
(0,0,0) (if necessary)

Enclosed
You have to come to the class to get more examples.