Crystallographic Points, Directions, and Planes

In addition to directions, specific planes within a crystal structure

hold particular significance. For example:
Metals deform easily along close-packed directions
Crystal terminations are defined in terms of surface planes

Procedure for writing plane notation:

1.
2.

3.
4.
5.

Shift coordinate system if plane

passes through origin
Identify intersections along
x,y,z coordinate axes. A plane
parallel to axis has intercept,
0 index
Take reciprocal of intercepts
Reduce to integers
Enclose numbers in
parentheses, using overscores
for negative #s
(hkl)
3-1

Crystallographic Planes

Adapted from Fig. 3.10,

Callister & Rethwisch 8e.
2

Crystallographic Planes
z
a
1
1/1
1
1

example
1. Intercepts
2. Reciprocals
3.

Reduction

4.

Miller Indices

example
1. Intercepts
2. Reciprocals
Reduction

4.

Miller Indices

1/
0
0

(110)

a
1/2
1/
2
0
2
0

3.

b
1
1/1
1
1

c
a
x

1/

b
a

(200)

1/
0
0

x
3

Crystallographic Planes
z
example
1. Intercepts
2. Reciprocals
3.

Reduction

4.

Miller Indices

a
1/2

b
1

c
3/4

1/

1/1

1/

4/3

(634)

Family of Planes {hkl}

Ex: {100} = (100),

(010), (001), (100), (010), (001)

4

Example 3.10
Determine the Miller indices for the plane shown
below.

3-5

Example 3.10
Determine the Miller indices for the plane shown
below.

1.
2.

3.
4.
5.

Shift coordinate system if

plane passes through origin
Identify intersections along
x,y,z coordinate axes. A plane
parallel to axis has
intercept, 0 index
Take reciprocal of intercepts
Reduce to integers
Enclose numbers in
parentheses, using overscores
for negative #s
(hkl)
3-6

example
1. Intercepts
2. Reciprocals
3.

Reduction

4.

Miller Indices

1/
0
0

b
-1
1/-1
-1
-1

(012)

c
1/2
2/1
2
2

Chrystalographic Points

Virtual Material
Science and
Engineering
Chrystalographic
Directions

Chrystalographic
Planes

Linear and Planar Packing Densities

Linear density (LD) and planar density (PD) fraction calculations
are useful in describing atomic densities with respect to
crystallographic direction or crystallographic plane.
LD

number of atoms centered on direction vector

length of direction vector
Units are reciprocal
length

PD

number of atoms centered on plane

area of plane

Units are reciprocal

area
3-9

Linear Density
Number of atoms
Linear Density of Atoms LD
= length of direction vector
Unit

[110]

ex: linear density of Al in [110]

direction
a = 0.405 nm

# atoms
a

LD
length

2
2a

3.5 nm 1

10

Planar Density of (100) Iron

Solution: At T < 912C iron has the BCC
structure.
2D repeat unit
(100)

Adapted from Fig. 3.2(c), Callister & Rethwisch 8e.

atoms
2D repeat unit

Planar Density =
area
2D repeat unit

a2

4R
3

Radius of iron R = 0.1241 nm

1
4R
3

= 12.1atoms=

nm2

atoms
1.2 x 10
m2
19

11

Crystalline vs. Non crystalline

A crystalline solid thatMaterials
exhibits only one orientation of
arrangement is referred to as a single crystal

Solids that exhibit more than one orientation are referred

to as polycrystalline.
Regions of similar orientation are known as grains.
These regions are typically separated by amorphous
structures known as grain boundaries.

3-12

Solidification of a Polycrystalline
Materials

Grain
boundarie
s

13

Anisotrophy
Isotropic:
Material
Properties are
non-directional

Anisotropic:
Material
Properties are
directional

14

Single vs Polycrystals
Single
Crystals

E (diagonal) = 273 GPa

-Properties vary with

direction: anisotropic.
-Example: the modulus
of elasticity (E) in BCC iron:
E (edge) = 125 GPa

Polycrystals

-Properties may/may not

vary with direction.
-If grains are randomly
oriented: isotropic.

200 m

(Epoly iron = 210 GPa)

15

X-Ray Diffraction
X-ray diffraction (XRD) is commonly used to characterize
crystal structure. The technique is based on Braggs law,
which relates angles corresponding to constructive
interference to the interplane spacing (d).

16

X-Rays to Determine Crystal Structure

Incoming X-rays diffract from crystal
planes.

reflections must
be in phase for
a detectable signal

extra
distance
travelled
by wave 2

Measurement of
critical angle, c,
allows computation
of planar spacing,
d.

spacing
between
planes

X-ray
intensity
(from
detector)

n
2 sinc

17

Schematic diagram of an x-ray

diffractometer

Angle of diffraction =2

18

Diffraction Occurs when a wave encounters a series of

regularly spaced obstacles that
1. Are capable of scattering the wave
2. Have spacing that are comparable in magnitude to the
wavelength
.

Relationship between 2 or more waves that have been

scattered by the obstacle
Constructive
interference

Destructive
interference

19

Braggs Law Describes the relationship

between x-ray wavelength (), interatomic
spacing (d), and the angle of diffraction ()
for constructive interference
d

X-ray

n
2 sin c

intensity

n= Order of reflection
(integer)

(from
detector)

c
If Braggs law is satisfied, then you get a high detectable signal. If
Braggs law is not satisfied, then you get destructive interference
and the signal is weak or low

20

X-Ray Diffraction Pattern

z

z
c

Intensity (relative)

c
a
x

y (110)

a
x

c
b

a
x

(211)

(200)

Diffraction angle 2

Diffraction pattern for polycrystalline -iron (BCC)

21

22