In 3D we have seven crystal systems

Lecture 3
Structures of Metals
and Ceramics

CRYSTAL SYSTEMS In 3D we have seven crystal systems

There are many different crystal structures, it is divided into groups
according to unit cell configurations

p 3 Crystal Axes: Geometry of the Unit Cell.

n A right-handed
coordinate system
consisting of three axis x,
y, and z axes at the one
of the corners and
coinciding with the uc. z
edges.
p 3 lengths:
n a, b , c
p 3 inter-axial angles
c b a
y
n a , b , g, g a
x
So 6 Lattice Parameters Define
b
the Size and Shape of the
Unit Cell 2 4
The Special Cases 14 space or Bravais lattices grouped in 7 X-tal system
pCall it Cubic and Give 1 Lattice Parameter :
Value of a = “ao” only!
a=b =c
a = b = g = 90o
z

c β α y
Rhombohedral Tetragonal-s Tetragonal-bc
γ a Hexagonal
x
pSymmetry associated with it: NONE b
Call it Triclinic and Give 6 Lattice
Parameter :
a ¹ b¹ c
a ¹ b ¹ g ¹ 90o c α
β
γ a
b
Cubic-s Cubic-bc Cubic-fc
5 7

14 space or Bravais lattices grouped in 7 X-tal system 3 Bravais lattices for Cubes

Triclinic-s Monoclinic-s Monoclinic base-c

Corners & Body Corners & All Face
Corners
Center Centers
“Simple ” “Body Centered” “Face Centered”

Orthorhombic-s Orthorhombic base-c Orthorhombic-bc Orthorhombic-fc 6 8

 2 Bravais Lattices for Tetragonal Specification of Point Coordinates
p Conventions: 13 12
n Use the Axes (a, b, c) as a 14
Coordinate System 10
16 11
n Each Axis is 1 (unit) Long
15
p Give Coordinates between 0 9 8
and 1 7
n Notation q, r, s, where q, r, and s are 6
fractions or 0 17
1 18
4
5
Point Point Point Point 2
Corners & All Face Number Coordinates Number Coordinates 3
Corners Corners & Body Centers 1. 000 10. 101
Center 2. 100 11. 111
“Simple “Face Centered
“Body Centered 3. 110 12. 011
Tetragonal” Tetragonal” 4. 010 13. 001
Tetragonal”
5. ½ ½ 0 14. ½ ½ 1
6. 1½½ 15. ¾¼¾
7. ½1½ 16. ¼¾¾
8. 0½½ 17. ¼¼¼
9 9. ½0½ 18. ¾¾¼ 11

Point Coordinates CRYSTALLOGRAPHIC DIRECTIONS

The position of any point located within a unit cell may be specified in terms of A crystallographic direction is defined as a line between two points, or a vector.
its coordinates. It help for determination of lines and planes. p Crystallographic directions are easy: a line passing from an origin 0,0,0
Determination of point coordinates through a point h, k, l will have a direction indicated by [hkl]
p Distance is measured in unit cell along the x, y and z-axis to get from the
origin to the point in question. p Conventions :
p Any lattice point can be the origin. [001]
n Draw a vector parallel to the
p The coordinates are written as the three distances, q,r,s with commas direction of interest that starts from Z, c [111]
separating the numbers. an origin 0,0,0 .
z n Determine the components of the
vector in terms of unit cell Y, b
000
dimension. [010]
q, r, s n Clear all fractions to smallest X, a
p integer values, hkl [100]
c n Use [hkl], notation is important!
sc [001]
y n Use a bar over appropriate index if
qa
it is negative
a
x rb
b 10 12
 CRYSTALLOGRAPHIC DIRECTIONS CRYSTALLOGRAPHIC DIRECTIONS
p Crystallographic directions is determined by a line passing from an Hexagonal Crystals
origin 0,0,0 through a point h, k, l will have a direction indicated by [hkl] p Hexagonal systems are complicated, it can be alleviated by going to a 4-
index system:
Point C: coordinates 1 0 0
Point D: coordinates 1/3 1 1 Point C: assume it is origin
Line CD: direction: (0 0 0 in the next unit cell)
[1/3-1, 1-0, 1-0] Point D: In 2D
(hkl) → (hkil) where h+k+i=0
[-2/3 1 1 ] –2/3 1 1 w/ origin at C
or clear fractions: [233] Line CD: direction [– 2/3 1 1]
or clear fractions: [233]

a3
b a2
a a1

Point A: coordinates 0 0 0
Point B: coordinates 1 ½ 0 [100] [110]
Line AB : direction [1½0],
or clear fractions: [210] 13 15

CRYSTALLOGRAPHIC DIRECTIONS Hexagonal indexing (Barrett & Massalski)

p Crystallographic directions is determined by a line passing from an
origin 0,0,0 through a point h, k, l will have a direction indicated by [hkl]

z, c

[122]

[102]
[121]

y, b
x, a [110]

14 16
 Hexagonal indexing (Barrett & Massalski) Family of Directions in Tetragonal System
_
E [2116 ]
c c The [101] Direction in
The [110] Direction in
tetragonal system tetragonal system
_ _
C [1213 ]

a3 a3
a2 a2
_
_
_ __ D [1213
_]
A [1100 ] a B [1123 ]
1 a1 The Family of <110> Directions The Family of <101> Directions
c
in tetragonal system in tetragonal system
_ _
G [0111]

a3
a2

a1
17 19

Equivalent Groups (Family) of Directions CRYSTALLOGRAPHIC PLANES

[hkl] is ONE Specific Direction Planes in a crystal are denoted by Miller indices which are the reciprocals of
<hkl> is a FAMILY of Equivalent Directions the fractional intercepts that the planes make with the axes .
The [110] Direction in cubic system Procedure
p If Plane passes through the origin,
construct a parallel Plane in the Unit
Cell,

ì [110 ] p Record the Intercepts of the Planes

ï ëé 110 ûù with x, y, and z axis, (If a plane is
The Family of <110> Directions in cubic system ï [101 ] éë 101 ùû parallel to an axis, the intercept is
ï
ïï [ 011 ] ëé 011 ûù taken to be at infinity ¥ ),
110 = í
ïëé 110 ûù ëé 110ûù
p Take Reciprocals of these Numbers, a b c
ï Clear Fractions, Enclose the result in
ïéë101 ùû éë101 ùû p The intercepts 3 2 2
ï parentheses (hkl).
ïîéë 011 ùû éë010 ùû The reciprocals 1/ 1/ 1/
3 2 2

The Miller indices (1/ 3 1/2 1/2)

multiply by 6 (2 3 3)
18 20
 CRYSTALLOGRAPHIC PLANES Miller indices for Plane passes through origin
z
a b c
The intercepts 1 2 2 c
c c
The reciprocals 1/ 1/ 1/
1 2 2
(211) _

(110)
The Miller indices (1 1/ 1/
2)
2 O 000 b O 000 b
O b _ 000
multiply by 2 (2 1 1) y (012)
a a
a 000
x Plane passes through origin
The Miller indices of important planes in a cubic crystal a b c
z z
Assume it is origin
(0 0 0 in the next unit cell) The intercepts ¥ -1 1/
2
z (001) a a a b c The reciprocals 1/
¥
1/ 2
-1 /1
a
(010) The intercepts -1 1 ¥ The Miller indices (0 -1 2)
1/ 1 1/
The reciprocals -1 /1 ¥
(110) The Miller indices (-1 1 0)
y (111)
y
y a a a a
a a
x x _
x (100) 21 23

Miller Indices For Hexagonal Crystals Representation of Equivalent Planes

The procedure for finding Miller indices is exactly the same as before, but four
intercepts are required, giving the indices of the form (hkil) (due to special z z
geometry of system, h+k=-i). (110)
O (111) y
O y
c _ _
B (1210)
c x x
2/3
a1 a2 a3 c
¥
Other equivalent (111) planes Other equivalent (110) planes
B (0003)
2/3
a3
B
Intercepts -1 1 ¥
reciprocals 1/ 1/ 1/ 1
B
a2 -1 1 ¥ /¥
a3 Miller indices (-1 1 0 0)
A z
_
(001)
a2 A (1102) Inter-planer Spacing
A
a1 y
_ O 2 2 2
A (1101) 1 (h +k +l )
a1 a1 a2 a3 c Cubic: 2 = 2
d hkl a
-1 ¥ 1/2
Other
The intercepts 1 x equivalent
a1 a2 a3 c 2 2 2
-1 ¥ 1
The reciprocals 1/ 1/ 1/ 2
The intercepts 1 1 -1 ¥ /1 (001) planes 1 (h +k ) l
The Miller indices (1 -1 0 2) Tetragonal: 2 = 2 + 2
The reciprocals 1/ 1/
1 -1
1/ 1
¥ /1 d hkl a c
a1 a2 a3 c
-1 1/2 -1 ¥
The Miller indices (1 -1 0 1)
The intercepts
The reciprocals 1 /-1 2/1 1/-1 1/¥
The Miller indices (-1 2 -1 0) 22 24
 Family of Planes Linear Atomic Densities
(hkl) is ONE Specific Plane
LINEAR ATOMIC DENSITIES # of atoms centered on direction
{hkl} is a FAMILY of Equivalent Plane
LD =
Lengthof direction
a 2 a 2
z a 2
(001)
a a
(010)

a y
a a
x (100)
a (100)
a=2R a=2 R 2
{100}
a=4 R 3
1 2
LD[110] = 1 LD[110] =
{100} = (100) (010) (001) (100) (010) (001)
2R 2 LD[110] = 2R 2 2
4R 2 3
1 1
= 0.35 1 = 0 .50
R = 0.30 R
25
R 27

Family of Planes in Tetragonal System Planar Atomic Densities

The (001) Plane in
The (100) Plane in
tetragonal system
PLANAR ATOMIC DENSITIES # of atoms centered on a plane
tetragonal system PD =
c
Areaof plane
c

a
a a
{100} a

a=2R a=2 R 2
a=4 R 3
2
PD (100) =
1 1 PD (100) =
2R × 2 R PD (100) = 2R 2 × 2R 2
4R 3 × 4R 3
1 1
{100} = (100) (010) (100) (010) {001} = (001) (001) = 0 .25 2 1 = 0.25
R = 0.19 2 R
2

26 R 28
 Close-Packed Planes & Directions in fcc Metals Close-Packed Crystal Structures
Atoms “touch” along the <110> FCC and HCP metallic crystal structures both have atomic packing factors of
é
ë 011 ù
û direction and on {111} plane 0.74, which is the most efficient packing of equal-sized spheres or atoms
h=4 R 3 2
é101 û
ù
ë {111} = 2R 3 The Closest Packing
of Spheres in 3D Peaks Valleys
(111) <110>
p Two Possible Locations
A
é110 û
ë ù 2R for following top Layer:
Area = 2 R 3 × 2R n B-Positions

a=2 R 2 PD (111) =
2
2
= 4 3 R2 OR
B
C
4 3R n C-Positions

2 1 1 In the valleys
= 0.29
LD [110] = = 0.50 R
2
2R 2 2 R
2 × π R2 Note: Each sphere is
2× 2R PD (111) = surrounded by 12 other
LD [110] = =1 2
4 3R spheres (6 in one plane, 3
2R 2 2 = 0.907 above and 3 below).
29 31

Close-Packed Planes & Directions in bcc Metals Close-Packed Crystal Structures

Atoms “touch” along the <111> p There is only one place for the second layer of spheres.
( 110) direction and on {110} plane p There are two choices for the third layer of spheres:
[111] n Third layer eclipses the first (ABAB arrangement). This is called
é
ë111 ù
û
a=4R 3 hexagonal close packing (hcp);
n Third layer is in a different position relative to the first (ABCABC
l = 2 ×4 R 3
arrangement). This is called cubic close packing (ccp).
a=4R 3 Area = 4 R / 3 × 2 × 4R / 3
= 16 2 R 2 / 3

2 1 2
LD[111] = = 0.50 PD (110) =
3 ×4R 3
2
R 16 2 R / 3
2×2R 1
= 0 .265 2
LF [111] = =1
3 × 4R 3 R
2× π × R 2
PD (110) = 2
16 2 R / 3
= 0 .833 30 32
Face-Centered Cubic Metal Crystal Structure Close Packed Ceramic Structure

33 35

HCP Metal Crystal Structure SINGLE CRYSTALS

For a crystalline solid, when the periodic and repeated arrangement of
atoms is perfect or extends throughout the entirety of the specimen
without interruption, the result is a single crystal.

CaF2

34 36
 POLYCRYSTALLINE MATERIALS
Most crystalline solids are composed of a collection of many small crystals
or grains; such materials are termed polycrystalline.
X-RAY DIFFRACTION:DETERMINATION OF
CRYSTAL STRUCTURES
p X-ray diffraction (X-ray crystallography):
n X-rays are passed through the crystal and are detected on a
photographic plate.
n The photographic plate has one bright spot at the center (incident
beam) as well as a diffraction pattern.
n Each close packing arrangement produces a different diffraction
pattern.
n Knowing the diffraction pattern, we can calculate the positions of the
atoms required to produce that pattern.
n We calculate the crystal structure based on a knowledge of the
diffraction pattern.

37 39

X-RAY DIFFRACTION:DETERMINATION OF X-RAY DIFFRACTION:DETERMINATION OF

CRYSTAL STRUCTURES CRYSTAL STRUCTURES

38 40