Chapter 3 CRYSTAL SYSTEMS

Unit Cell (Lattice) Parameters

z

a, b, c are the edge lengths , , are the inter-axial angles

y a

Seven different combinations of edge lengths and inter axial angles Distinct Crystal System

Seven Crystal Systems

1 2
3 4 5

6
7
3

1. Cubic Crystals
z

Halite (a form of NaCl) x b

Unit Cell Parameters

a=b=c = = = 90o

2. Hexagonal Crystals
z

Calcite
x b

Unit Cell Parameters

a=bc = = 90o, = 120o

3. Tetragonal Crystals
z

c Ruby Hematite x b

Unit Cell Parameters

a=bc = = = 90o

4. Rhombohedral (Trigonal) Crystals

z

c Quartz

x b

Unit Cell Parameters

a=bc = = 90o

5. Orthorhombic Crystals
z

Topaz

Barite
x

Unit Cell Parameters

a bc = = = 90o

6. Monoclinic Crystals
z

c Gypsum Muscovite x

Unit Cell Parameters

a bc = = 90o

7. Triclinic Crystals
z

c Oligoclase (Na-Ca-Al Silicate) Kyanite (Al Silicate) x

Unit Cell Parameters

a bc

Crystallographic Points, Directions, Planes

Needs either a point within the unit cell, a crystallographic direction or a crystallographic plane of atoms to describe the crystal Becomes more important when the coordinate axes are not perpendicular to each other
Hexagonal Rhombohedral Monoclinic Triclinic

Crystallographic Points (point coordinates)

z

P (q,r,s) c
sc qa rb

Point P (q,r,s) (q,r,s) 1 q corrsponds to distance qa r corresponds to distance rb s corresponds to distance sc

Crystallographic Points
z

Find Point P (, 1, ) Substitute q = , r = 1, and s =

c a
1b

P (, 1, ) c y a

Crystallographic Directions A line between two points, or a vector.

1. Draw a vector that passes through the origin of the co-ordinate system 2. Determine the length of the vector projection on three axes measured in terms of unit cell dimensions a, b, c 3. Reduce them to smallest integer values 4. Represent as [uvw] no commas.
u, v, w correspond to reduced projections along x, y, z axes

Example for direction [uvw]

Step 1: A vector is positioned such that it passes through the origin of the coordinate system
Z

What are the indices for the Vector shown?

0.5 nm
Y 0.3 nm 0.4 nm

Example for direction [uvw]

Step 2: Lengths of the vector projection on each of the three axes are determined; these are indicated in terms of unit cell dimensions a,b,c
Z

Y 0.5b

Z 0.5c

Projections
0.5 nm
Y 0.3 nm 0.4 nm

0a

Example for direction [uvw]

Step 3: These projections are multiplied to reduce them to the smallest integer value
Z

Y 0.5b 0.5 1

Z 0.5c 0.5 1

Projections
0.5 nm
Y 0.3 nm 0.4 nm

0a 0 0

Reduction Reduction

Example for direction [uvw]

Step 4: The reduced integers are enclosed in square brackets without comma
Z

Y 0.5b 0.5 1

Z 0.5c 0.5 1

Projections
0.5 nm
Y 0.3 nm 0.4 nm

0a 0 0

Reduction Reduction

[011]

Example for direction [uvw]

Negative directions get a hat
Z

Y 0.5b 0.5 1

Z 0.5c 0.5 1

Projections
0.5 nm
Y 0.3 nm 0.4 nm

0a 0 0

Reduction Reduction

[011]

Example for direction [uvw]

Negative directions get a hat
Z

Y 0.5b 0.5 1

Z 0.5c 0.5 1

Projections
0.5 nm
Y 0.3 nm 0.4 nm

0a 0 0

Reduction Reduction

[011]

Indices for the Direction

z

1. Take the projection on the X-axis: a/2

2. Take the projection on the Y-axis: b

3. Take the projection on the Z-axis: 0c

Reduce them into smallest integers

c

[ 1 0] or [1 2 0] ?
y a

Crystallographic Planes
In all crystal structures other than hexagonal, crystallographic planes are specified by three Miller Indices (hkl) Any two planes parallel to each other are equivalent and have identical indices The unit cell system is the basis

a y

Crystallographic Planes

Adapted from Fig. 3.26, Callister & Rethwisch 4e.

23

Determining h,k,l
1. If the plane passes through selected origin, select another origin 2. Read off intercepts of plane with axes in terms of a, b, c 3. Take the reciprocals of these numbers
A plane that parallels an axis has infinite intercept hence zero index

4. Reduce to set of smallest integers 5. Represent as (hkl)

An intercept on the negative side denoted with a bar on the top of the index

Determine Miller Indices for the Plane

Step 1: Redefine Origin
z z z

c a
x b

c/2

c y x b a x

c/2

y
y

Determine Miller Indices for the Plane

Step 2: Determine the plane intercepts
z z Intercepts x y z

inf a

-b

c/2

c a x x b

c/2

Intercepts (Lattice par.)

inf

-1

1/2

y
y

Determine Miller Indices for the Plane

Step 3: Determine the reciprocals
z z Reciprocals x y z

-1

c a x x b

c/2

Step 4: Reduction to integers not needed

y
y

Step 5:

(012)

Miller Indices for the Plane

1. Plane parallel to X-axis is a, intercept is , index is 0

2. Intercept along Y-axis is b, intercept is -1, index is -1

z

3. Intercept along Z-axis is c/2, intercept is , index is 2

O O

c/2 y

-b x x

Miller Indices for this plane : [012]

Miller Indices for the Plane

z

1. Plane parallel to X-axis is a, intercept

x

Miller Indices : (020)

is , index is 0 2. Intercept along Y-axis is b/2, intercept is 1/2, index is 2 3. Plane parallel to Z-axis is c, intercept is , index is 0

Constructing a Plane (011)

0 indicates that the plane is parallel to Xaxis -1 indicates that the intercept along Y axis is b 1 indicates that the intercept along Z axis is c

c
y

-b b x

Constructing a (110) Plane

z

1 indicates that the intercept along X-axis is a 1 indicates that the intercept along Y axis is b 0 indicates that the plane is parallel to the Z-axis