Crystal Lattices

Bravais Lattices

Non-Bravais Lattices

(BL)

(non-BL)

All atoms are the same kind

All lattice points are equivalent

Atoms are of different kinds.

Some
lattice
arent
equivalent.
Atoms
are ofpoints
different
kinds.
Some
A combination
2 or
more BL
lattice
points areofnot
equivalent.

2 d examples

Lattice Translation Vectors

In General
Mathematically, a lattice is defined by 3 vectors called
Primitive Lattice Vectors
a1, a2, a3 are 3d vectors which depend on the geometry.

Once a1, a2, a3 are specified, the

Primitive Lattice Structure is known.
Kisi terbatas yang dihasilkan melalui translasi

Direct Lattice Vector:

T = n1a1 + n2a2 + n3a3

n1,n2,n3 are integers. T generates the lattice points. Each

2 Dimensional Lattice Translation Vectors

Consider a 2-dimensional lattice (figure). Define the

2 Dimensional Translation Vector

Rn n1a + n2b
(Sorry for the notation change!!)
a & b are 2 d Primitive Lattice Vectors, n1, n2 are integers.

a & b adalah vektor kisi yang

simetris dan ditentukan oleh
vektor Rn. Yaitu, kisi memiliki
simetri translasi. vektor kisi
primitif tidak unik! Artinya ada
berbagai kemungkinan
Point D(n1, n2) = (0,2)
Point F(n1, n2) = (0,-1)

The Basis
(or basis set)
Susunan atom yang ditempatkan pada setiap titik kisi,
menghasilkan Struktur Kristal.

Crystal Structure
Lattice + Basis

Primitive

Translasi basis melalui semua kemungkinan vektor

kisi

T = n1a1 + n2a2 + n3a3

The periodic lattice symmetry is

such that the atomic arrangement looks the same
from an arbitrary vector position r as when viewed
from the point

r' = r + T

(1)

where T is the translation vector for

the lattice:
T = n1a1 + n2a2 + n3a3
Mathematically, the lattice & the vectors a1,a2,a3 are

In 3 dimensions, no 2 of the 3 primitive lattice vectors

a1,a2,a3 can be along the same line. But,

Jangan berfikir a1,a2,a3 sebagai

satu susunan yang saling tegak
lurus
Usually, mereka tidak asaling tegak
lurus atau semua sama panjang!
For examples, see Fig. 3a (2 dimensions):

The Primitive Lattice Vectors a1,a2,a3 arent

necessarily a mutually orthogonal set!

Usually
they are neither mutually perpendicular nor
all the same length!

For examples, see Fig. 3b (3

dimensions):

Crystal Lattice Types

Bravais Lattice
An infinite array of discrete points with an
arrangement & orientation that appears exactly
the
same, from whichever of the points the array is
viewed.

A Bravais Lattice is invariant under a

translation

T = n1a1 + n2a2 + n3a3

Nb film

Non-Bravais Lattices
In a Bravais Lattice, not only the atomic
arrangement but also the orientations must
appear
exactly the same from every lattice point.

2 Dimensional Honeycomb Lattice

The red dots each have a neighbor to

the immediate left. The blue dot has a
neighbor to its right. The red (&
blue) sides are equivalent & have the
same appearance. But, the red &
blue dots are not equivalent. If the blue Honeycomb Lattice
side is rotated through 180 the lattice is
invariant.

The Honeycomb Lattice is

It can be shown that, in 2 Dimensions, there are

Five (5) & ONLY Five Bravais Lattices!

2-Dimensional Unit Cells

Unit Cell The Smallest Component

of the crystal (group of atoms, ions or molecules),
which, when stacked together with pure
translational repetition, reproduces the whole
crystal.
b

2D-Crystal

a
Unit Cell

Unit Cell The Smallest Component

of the crystal (group of atoms, ions or molecules),
which, when stacked together with pure
translational repetition, reproduces the whole
crystal.

Note that the choice of unit cell is not unique!

2D-Crystal
S
S
S

2-Dimensional Unit Cells

Artificial Example: NaCl

Lattice points are points with

identical environments.

2-Dimensional Unit Cells: NaCl

Note that the choice of origin is arbitrary!
the lattice points need not be atoms, but
The unit cell size must always be the same.

2-Dimensional Unit Cells: NaCl

These are also unit cells!
It doesnt matter if the origin is at Na or Cl!

2-Dimensional Unit Cells: NaCl

These are also unit cells.
The origin does not have to be on an atom!

2-Dimensional Unit Cells: NaCl

These are NOT unit cells!

Empty space is not allowed!

2-Dimensional Unit Cells: NaCl

In 2 dimensions, these are unit cells.

In 3 dimensions, they would not be.

2-Dimensional Unit Cells

Why can't the blue triangle be a unit cell?

Example: 2 Dimensional, Periodic Art!

A Painting by

Dutch Artist Maurits Cornelis Escher (1898-1972)

Escher was famous for his
so called impossible
structures, such as
Ascending & Descending,
Relativity,..

Can you find the Unit Cell in this painting?

3-Dimensional
Unit Cells

3-Dimensional Unit Cells

3 Common Unit Cells with Cubic Symmetry

Simple Cubic Body Centered

Face Centered
(SC)
Cubic (BCC)
Cubic (FCC)

Conventional & Primitive Unit Cells

Unt Cell Types
Primitive
A single lattice point per cell
The smallest area in 2 dimensions, or
The smallest volume in 3 dimensions

Simple Cubic (SC)

Conventional Cell =
Primitive cell

Conventional
(Non-primitive)
More than one lattice point per cell
Volume (area) = integer multiple of
that for primitive cell

Body Centered Cubic (BCC)

Conventional Cell
Primitive cell

Face Centered Cubic (FCC) Structure

Conventional Unit Cells

A Conventional Unit Cell just fills space when

translated through a subset of Bravais lattice vectors.
The conventional unit cell is larger than the primitive
cell, but with the full symmetry of the Bravais lattice.
The size of the conventional cell is given by the lattice
constant a.

FCC Bravais Lattice

The full cube is the

Conventional Unit
Cell for the FCC
Lattice

Conventional & Primitive Unit Cells

Face Centered Cubic Lattice
Primitive Unit Cell
Primitive Lattice
(Shaded)
Vectors
Lattice
Constant
a1 = ()a(1,1,0)
a2 = ()a(0,1,1)
a3 = ()a(1,0,1)
Note that the ais are
Conventional Unit Cell
(Full Cube)

NOT Mutually
Orthogonal!

Elements That Form Solids

with the FCC Structure

Body Centered Cubic (BCC) Structure

Conventional & Primitive Unit Cells

Body Centered Cubic Lattice

Primitive Unit Cell

Primitive Lattice
Vectors
a1 = ()a(1,1,-1)
a2 = ()a(-1,1,1)
Lattice
Constant a3 = ()a(1,-1,1)
Note that the ais are

Conventional Unit Cell

(Full Cube)

NOT mutually
orthogonal!

Elements That Form Solids

with the BCC Structure

Conventional & Primitive Unit Cells

Cubic Lattices
Simple Cubic (SC)

Primitive Cell = Conventional Cell

a
b

Fractional coordinates of lattice points:

000, 100, 010, 001, 110,101, 011, 111

Body Centered Cubic (BCC)

Primitive Cell Conventional

Cell

b
c
a

Fractional coordinates of the lattice points

in the conventional cell:
000,100, 010, 001, 110,101, 011, 111,

Primitive Cell = Rombohedron

Conventional & Primitive Unit Cells

Cubic Lattices
Face Centered Cubic (FCC)
Primitive Cell Conventional Cell

The fractional coordinates of

lattice points in the conventional
cell are:

000,100, 010, 001,

110,101, 011, 111,
0, 0 , 0 ,
1 , 1 , 1

c
a

Simple Hexagonal Bravais Lattice

Conventional & Primitive Unit Cells

Points of the Primitive Cell

Hexagonal Bravais
Lattice
Primitive Cell =
Conventional Cell

b
a

Fractional coordinates of lattice

points in conventional cell:

100, 010, 110, 101,

011, 111, 000, 001

Hexagonal Close Packed (HCP) Lattice:

A Simple Hexagonal Bravais Lattice
with a 2 Atom Basis

The HCP lattice is not a

Bravais lattice, because the
orientation of the
environment of a point varies
from layer to layer along the

General Unit Cell Discussion

For any lattice, the unit cell &,
thus, the entire lattice, is
UNIQUELY determined by 6
constants (figure):

a, b, c, , and

which depend on lattice geometry.

Jika ingin menghitung jumlah atom
dalam sel satuan. Dapat dilakukan
dengan membayangkan susunan bola
keras yang berpusat pada setiap titik kisi
& hanya menyentuh satu sama tetangga
terdekat. Untuk kisi kubik, hanya 1/8
dari setiap titik kisi dalam sel satuan,
seperti kisi kubik pada gambar
disamping
Setiap unit sel terikat dengan (8) (1/8)

Primitive Unit Cells & Primitive Lattice Vectors

Secara umum, Sel satuan
Primitif ditentukan oleh
kesejararan yang dibentuk oleh
vektor primitif a1, a2, a3 &
sehingga tidak ada volume sel
yang lebih kecil yang dapat
digunakan sebagai sebuah blok
bangunan untuk struktur
kristal.
Unit Sel Primitif dapat diulang
untuk mengisi ruang secara
berkala melalui translasi vektor

The Primitive Unit Cell

volume can be found by
vector manipulation:

V = a1(a2 a3)

For the cubic unit cell

T = n1a1 + n2a2 + n3a3. in the figure, V = a3

Primitive Unit Cells

Note that, by definition, the Primitive Unit Cell must
contain ONLY ONE lattice point.
There can be different choices for the Primitive Lattice
Vectors, but the Primitive Cell volume must be
independent of that choice.

A 2 Dimensional
Example!
P = Primitive Unit Cell
NP = Non-Primitive
Unit Cell