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Crystal Structure

This document discusses crystal structure and related concepts. It introduces lattices, which are periodic arrangements of points in space. There are 14 possible arrangements known as Bravais lattices. Unit cells are the smallest repeating units that generate the lattice. Common crystal structures like body centered cubic (BCC), face centered cubic (FCC), and hexagonal close packed (HCP) are presented along with their properties. The document also covers densities in one, two, and three dimensions and atomic packing factors. Miller indices are introduced as a notation system to describe points, directions, and planes in crystal lattices.

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Sukhwinder Singh Gill
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© © All Rights Reserved
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Download as PPT, PDF, TXT or read online on Scribd
188 views

Crystal Structure

This document discusses crystal structure and related concepts. It introduces lattices, which are periodic arrangements of points in space. There are 14 possible arrangements known as Bravais lattices. Unit cells are the smallest repeating units that generate the lattice. Common crystal structures like body centered cubic (BCC), face centered cubic (FCC), and hexagonal close packed (HCP) are presented along with their properties. The document also covers densities in one, two, and three dimensions and atomic packing factors. Miller indices are introduced as a notation system to describe points, directions, and planes in crystal lattices.

Uploaded by

Sukhwinder Singh Gill
Copyright
© © All Rights Reserved
Available Formats
Download as PPT, PDF, TXT or read online on Scribd
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CRYSTAL

STRUCTURE

CRYSTAL STRUCTURE

INTRODUCTION

LATTICES

CRYSTAL STRUCTURES

DENSITIES AND PACKING FACTORS

MILLER INDICES

LATTICES

DEFINITION

2D LATTICES

SPACE LATTICES

BRAVAIS LATTICES

UNIT CELLS

The Crystalline State

Solids can exist in two forms Such as


crystalline and non-crystalline.

If the periodicity of atoms are repeated


for a much greater distance than the
bond length in a solid then it is called
crystalline
otherwise
called
noncrystalline.

CRYSTAL STRUCTURE
Grain

Grain boundary

POLYCRYSTALLINE MICROSTRUCTURE
NEXT

THE LATTICE
The

lattice can be defined as an


indefinitely extended arrangement of
points each of which is surrounded by an
identical grouping of neighboring points.

NEXT

2D Lattices

(square)
a = b, = 90

(Rectangle)
a b, = 90

(parallelogram)
a = b, 90, = 60
NEXT

LATTICES
THE SPACE LATTICE

If the lattice ( periodic arrangement of


points) is in three dimensional (3D) space
then it is called space lattice.

NEXT

LATTICES
BRAVAIS LATTICES

There
are
only
fourteen
distinguishable ways of arranging
points in three dimensional space.

These 14 space lattices are known as


Bravais lattices.
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LATTICES
UNIT CELLS

Unit Cell is the smallest unit which,


when repeated in space indefinitely,
will generate the Bravais lattice.

LATTICES

I
cubic (unit cell)
a=b=c
===90

LATTICES

P
Tetragonal (unit cell)
a=bc
===90

LATTICES

Orthorhombic (unit cell)


abc
===90

LATTICES

Rombohedral (triognal)
a=b=c
== 90

(unit cell)

LATTICES

Hexagonal (unit cell)


a=bc
== =90 =120

LATTICES

Monoclinic (unit cell)


abc
= =90

LATTICES

Triclinic (unit cell)


abc
90

LATTICES
Crystal
System
Cubic

Lattice
Bravais lattice Total
parameters
a=b=c
P, I, F
3
===90
P- Primitive
Tetragonal
a=bc
P, I
2
I-Body Centered
===90
Orthorhombic a b c
P, C, I, F
4
===90 F- Face centered
C-Base Centered

LATTICES
Rhombohedral a = b = c
== 90
Hexagonal
a=bc
== =90
=120
Monoclinic
abc
= =90
Triclinic
abc
90

P, C

NEXT

Crystal structure
Space lattice + Basis

Crystal
Structure

The basis is the group of atoms


located on a lattice point.

Crystal structure

Lattice + Basis = Crystal Structure

Crystal structure
Monoatomic Crystal Structure

In simple crystals ( like metals ) the basis


consists of one atom per lattice point.

These crystals are called monoatomic

crystals.

Crystal structure

In case of monoatomic crystals the


adjective is often omitted.

i.e., a BCC crystal means monoatomic


BCC crystal unless and otherwise it is
stated.

Crystal structure
Some Important Crystal Structures

Body Centered Cubic (BCC)

Face Centered Cubic (FCC)

Hexagonal Closed Pack (HCP)

BCC Crystal structure

E.G: Cr, Fe, Mo, V


BCC Structure

BCC Crystal structure

BCC Unit
cell
repeated
BCC unit
Cellbeing
being repeated
in space

BCC Crystal structure

Total no of atoms per unit cell in BCC


structure is { [8 ()] + ( 1 1 )} = 2

And the coordination number is = 8

BCC Crystal structure

The relation between the atomic radius


and the lattice parameter for BCC is ao =
4r/3
r
r

ao3/2

NEXT

FCC Crystal structure

E.G: Al, Ca, Cu, Ag, Pb, Ag, Pt


FCC Structure

FCC Crystal structure

FCC Unit Cell is being


repeated in space

FCC Crystal structure

Total no of atoms per unit cell in FCC


structure is { [8 ()] + ( 6 () )} = 4.

Coordination number is = 12

Stacking sequence is ABCABCABC..

FCC Crystal structure


The

relation between
the atomic radius and
the lattice parameter
for FCC crystals is ao =
4r/2.

r
r
ao2/2
NEXT

HCP Crystal structure

E.G: Zn, Mg, Zr, Ti, Co


Hexagonal Structure

HCP Crystal structure

FCC Unit Cell is being


repeated in space

HCP Crystal structure

The relation between the atomic radius


and the lattice parameter for HCP crystals
is c = (4/6)ao =1.633ao = 3.266r. And for
ideal crystals c/a =1.663

Total no of atoms per unit cell is { [12


(1/6)] + [ 2 () ] + (3 1)} = 6.

HCP Crystal structure

The coordination number is = 12

Stacking sequence is ABABAB..

NEXT

Stacking sequences

A-B-A-B-A-B..

A-B-C-A-B-C-A-B.

Stacking sequences of HCP and CCP(FCC)


FCC

Stacking sequences

Stacking sequences of HCP structure


NEXT

DENSITIES AND PACKING FACTORS

LINEAR DENSITY

PLANAR DENSITY

VOLUMETRIC DENSITY

ATOMIC PACKING FACTOR

Linear density

The linear density (L) is the no. of


equivalent lattice points per unit length
along the direction.

i.e, L =

No. of atoms along direction


within one unit cell
Length of the line contained
within one unit cell

Linear density

Density along [110] in FCC

Linear density
i.e, L along [110] in FCC =

Therefore,

2 atoms
4r

linear density along [110] in

FCC is 1/2r.

Also [110] is the Close packed direction


in FCC.

Linear density

Density along [111] in BCC

Linear density
i.e, L along [111] in BCC =

2 atoms
4r

Therefore,

linear density along [111] in


BCC is 1/2r.

[111] is the Close packed direction in


BCC.
NEXT

Planar density

Planar density (P) is the number of


atoms per unit area on a plane of
interest.

i.e, P =

No. of atoms on a plane


within one unit cell
Area of the plane contained
within one unit cell

Planar density

Density along (110) in FCC

Planar density
i.e, P =

2 face centered atoms X 1/2


+ 4 corner atoms X 1/4

Therefore,

82r2

planar density on the (110)


plane of FCC crystal is 1/(42 r2).

Planar density

Density along (111) in FCC

Planar density
i.e, P =

3 face centered atoms X 1/2


+ 3 corner atoms X 1/6

Therefore,

43r2

planar density on the (111)


plane (close packed plane) of FCC
crystal is 1/(23 r2).

CLOSED PACKED DIRECTIONS AND PLANES


Crystal
structure

Closepacked
directions

Highestdensity
planes

Are the highest


density planes
closed packed?

BCC

<111>

{110}

No

FCC

<110>

{111}

Yes

HCP

basal

Yes

NEXT

Volumetric density

Volumetric density (v) is the number of


atoms per unit volume.

i.e, v =

No. of atoms which is present


within one unit cell
Volume of the unit cell

The volumetric density ( v ) for both


FCC and HCP crystal is 1/(42 r3).
NEXT

Packing factors

The ratio of the volume occupied by the


atoms to the total available volume is defined
to be the atomic packing fraction (APF)

APF = Volume of atoms in the unit cell


Volume of the unit cell

Packing factors
= No. of atoms in cell Volume of an atom

Volume of the unit cell


APF = v[(4/3) r3]

APF (SC) =0.52, APF(BCC)=


APF(FCC) = APF(HCP)= 0.74

0.68,

NEXT

Miller Indices
Definition
These are the notations which are
used to describe specific points,
directions and planes in a crystal
lattice.

Miller Indices

Coordinates of points

Indices of directions

Indices of planes

Miller Indices
Coordinates of points

The Cartesian coordinate system is used


to define points within the lattice.

The points are written in the form h, k, l,


where the three indices are corresponds to
fractions of lattice parameters a, b and c.

Miller Indices
z
C

F
D

Position Coordinate

O
A
B
C
D
E
F
G
H

Coordinates of Points

0, 0, 0 (origin)
1, 0, 0
0, 1, 0
0, 0, 1
1, 1, 1
1, 1, 0
0, 1, 1
1, 0, 1
, 1,

Miller Indices

The coordinates of the


face centers

Locating the point


, ,

Coordinates of Points
NEXT

Miller Indices
Indices of directions
1.

Determine the coordinates of two points


that lie in the direction of interest h1, k1,
l1 and h2, k2, l2 . The calculation is
simplified if the second point is
the
origin.

2.

Subtract the coordinates of the second


point from those of the first point: h= h1 h2 ; k= k1 - k2 ; l= l1 - l2

Miller Indices
3.

Clear fraction from the differences h,


k, l to give the indices, the lowest
integer value.

4.

Write the indices in square brackets without


commas [ h k l ]

5.

Negative integer values are indicated by


placing a bar over the integer. E.g [ h k l ].

Miller Indices

Miller indices for naming directions

Miller Indices

Families of directions

Angle between the directions

Miller Indices
If the properties of a crystal are measured
in two different directions and found to be
identical, then those directions are
equivalent.
These directions are called families of
directions.

These are denoted by angle brackets, i.e.


<h k l>

For example the directions [100], [010], [001],


are equal. It is denoted as < 100 >

NEXT

Miller Indices

The angles between the directions are


calculated as follows.
If A = ui + vj + wk and B = ui + vj + wk
then A.B = |A||B| Cos

The angle between the two directions is .


i.e. = cos-1{( uu + vv + ww ) / [ u2 +
v2 + w2) (u2+v2+w2)]}
NEXT

Miller Indices
Indices of plane
1.

Identify the coordinate intercepts of the


plane, i.e. the coordinates at which the
plane intersects the x, y and z axis. ( If
the plane is parallel to one of the axes
the intercept is taken as infinity . If the
plane passes through the origin consider
an equivalent plane in an adjacent unit
cell or change the location of the origin)

Miller Indices
2.

Take the reciprocal of the intercepts.

3.

Clear fractions, but do not reduce to


lowest integers.

4.

Cite planes in parentheses, ( h k l ),


again placing bars over negative indices.

Miller Indices

Example Planes

Miller Indices
z

Plane A

Plane Intercepts Indices


(0 0 1)

, , 1
1, 1, 1

1, 1,

(1 1 0)

, , -1 (0 0 1 )
1, , (1 0 2)
, , 1 (2 2 1)

A
Plane B
y
x

Plane C

E
F

Plane D

Example planes

(1 1 1)

Miller Indices
Plane Intercepts Indices
z

Plane F
E
F

1, ,
, , 1

Plane E
y
x

Example planes

(1 0 2)
(2 2 1)

Miller Indices

Plane A is (0 1 1) plane & Plane B is ( 1 1 2) plane

Miller Indices
Families of planes

Families of planes are expressed in braces, {


h k l }. All planes in a family are equivalent
in that they contain exactly same
arrangement of atoms. E.g. the members
of {1 0 0} are (1 0 0), (0 1 0), (0 0 1), ( 1 0
0) , (0 1 0), and (0 0 1) .

Miller Indices
Some important features
Planes and negatives of planes are
equivalent. The negatives in directions are
not equivalent but rather point in opposite
directions.
Planes are not necessarily equivalent to
their multiples. Directions are invariant to
multiples.
In cubic crystals, a plane and the direction
with the same indices are orthogonal.

Complex structures

CRYSTALS WITH MORE THAN ONE


ATOM PER LATTIC POINT

Complex structures

SC lattice

Complex structures

FCC lattice

Complex structures

FCC lattice

Complex structures

NaCl Unit Cell is being


repeated in space

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