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Functional Materials

Saarland
University
3.1 The plane lattice
3.2 The primitive space lattice (P-lattices)
3.3 The symmetry of the primitive lattices
3.4 The centered lattices
3.5 14 Bravais lattices
3.6 The unit cell of Bravais lattices
Part 3 - The 14 Bravais Lattices
Functional Materials
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University
Crystal strukture
=
Basis
+
Lattice
Atom
A
B
C
Die Kristallstruktur ist durch die Raumkoordinaten der atomaren Bausteine
bestimmt. Die Kenntnis der Symmetrie vereinfacht die Beschreibung.
a
b
Lattice-
konstant:
Lattice structure - basic conception
Functional Materials
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University

Die Translationssymmetrie schrnkt
die Zahl denkbarer
Symmetrieelemente drastisch ein.
Symmetry basis
Allen Gittern gemeinsam ist die
Translationssymmetrie.
(Einwirkung von 3 nicht komplanaren
Gitter-Translationen auf einen Punkt
Raumgitter)
Andere Symmetrieeigenschaften
treten nicht notwendigerweise in
jedem Gitter auf.

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University
General plane lattice
General lattice has no point symmetry elements except inversion centers.
.
1
.
2
2-fold
.
.
1
2
a
.
3
Lattice translation a
Generation of the general plane lattice with an oblique unit mesh:
parallelogram: a
0
b
0
and 90:
2-fold
.
.
1
2
.
a
3
.
b

4
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University
Special plane lattices - 1
c) a
0
=b
0
, = 90. square unit
.
.
1
2
.
a
3
.
b
90
4
.
.
.
.
d) a
0
=b
0
, = 120. hexagonal
.
.
1
2
.
a
3
.
b

4
.
.
.
.
.
.
.
.
a) = 90.
.
.
1
2
.
a
3
.
b
90
4
.
.
.
.
mirror
mirror
b) a
0
=b
0
, 60, 90, 120. rhombic unit
.
.
1
2
.
a
3
.
b

4
.
.
.
.
.
.
Centered rectanglular mech
.
.
.
.
.
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Symmetry elements of specific lattice planes




Primitive rectangular




Centered rectangular

square



hexagonal
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Special plane lattices - summary
Shape of unit
mesh
Lattice
parameters
Characterizatic
symmetry
elements
General planes
lattices
Parallelogram
a
0
b
0

90
2
Special plane
lattice
Rectangle
(primitive)
a
0
b
0

=90
M
Rectangle
(centered)
a
0
b
0

=90
M
Square a
0
=b
0

=90
4
120 Rhombus a
0
=b
0

=120
6(3)

Plane lattices:
a
b
c
d
Functional Materials
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University
Primitive space lattices (P-Lattices)
For general space lattice, special space lattices may be derived, where congruent
lattice planes are stacked above one another.
If the symmetry of the lattice planes is not changed, the five space lattices with
primitive unit cells (P-lattices) are produced.
Shape of unit
mesh in stacked
layers
Interplanar
spacing
Characterizatic
symmetry
elements
Parallelogram
(a
0
c
0
)
b
0


Monoclinic P
Rectangle
(a
0
b
0
)
c
0


Orthorhombic P
Square
(a
0
=b
0
)
c
0
(a
0
=b
0
)

Tetragonal P
Square
(a
0
=b
0
)
c
0
=(a
0
=b
0
)

Cubic P
120 Rhombus
(a
0
=b
0
)
c
0


Hexagonal P

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University
Primitive space lattices - Triclinic crystal system
Triclinic P-lattice:
a
0
b
0
c
0

Stacking:
no coincide with 2-fold axes
Triclinic axial system
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Primitive space lattices - Monoclinic
Monoclinic P-lattice:
a
0
b
0
c
0
= =90 >90
Stacking:
directly one another
90
90
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Primitive space lattices - Orthorhombic
Orthorhombic P-lattice:
a
0
b
0
c
0
= = =90
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Primitive space lattices - Tetragonal
Tetragonal P-lattice:
a
0
= b
0
c
0
= = =90
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Primitive space lattices - Trigonal
Two kinds of unit cell:
1) Trigonal R-lattice:
a
0
b
0
c
0
= =90 = 120
2) Rhombohedral P-lattice:
a
0
b
0
c
0
= =
Stack on center of three
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Primitive space lattices - Hexagonal
Hexagonal P-lattice (120 rhombus unit cell):
a
0
= b
0
c
0
= = 90, =120
Direct stack
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University
Primitive space lattices - Cubic
Cubic P-lattice:
a
0
= b
0
= c
0
= = =90
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14 Bravais lattice
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University
Symmetry rule
2m1 1 on m2 1 on 2m
mm2
2 on mm
m
2 on mm
m
The presence of any two of the given symmetry elements implies the presence
of the third:
Rule 1: A rotation axis of even
order (X
e
=2, 4 or 6), a mirror
plane normal to X
e
, and an
inversion center at the point of
intersection of X
e
and m.
Rule 2: The mutually
perpendicular mirror planes
and a 2-fold axis along their
line of intersection.
3
1
1
2 3
1
2
3
1
2 3
2
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Space group - Symmetry of Triclinic P-lattice
Space group:
The complete set of symmetry operations in a lattice or a crystal structure,
or a group of symmetry operations including lattice translations.
The space group of a primitive lattice which has only 1 is called P1
and the conditions for its unit cell parameters: a
0
b
0
c
0
;
P: space group
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Symmetry of Monoclinic P-Lattice
Space group of highest
symmetry:
P2/m: 2 normal to m
b
b-axis is symmetry direction
Projection x,y,0
Projection x,0,z
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Symmetry - Orthorhombic P-Lattice 1
Space group of highest symmetry:
P2/m 2/m 2/m (P4/mmm)
a b c
1. Symmetry elements are in order of axes: a, b, c
2. Each axis has a 2-fold rotation axis parallel to it
and mirror planes normal to it.
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Symmetry - Orthorhombic P-Lattice 2
Mirror plane parallel to
the plane of the page at
heights of 0 and 1/2
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Symmetry - Tetragonal P-Lattice 1
<uvw> denotes the lattice direction [uvw] and all equivalent directions
In group symbol, the symmetry elements are given in the order:
c, <a>, diagonal of the <a>-axis = <110>
they are called symmetry directions
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Symmetry - Tetragonal P-Lattice 2
P4/m 2/m 2/m
c <a> <110>
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Symmetry - Hexagonal P-Lattice-1
Projection on (001) c
The symmetry directions for tetragonal lattice in
the order of:
c, <a>, diagonals of the <a> axes = <210>
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Symmetry - Hexagonal P-Lattice-2
P6/m 2/m 2/m
c <a> <210>
a
c
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Symmetry - Cubic P-Lattice 1
P4/m 3 2/m
<a> <111> <110>
Symmetry directions:
<a>, <111>, <110>
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Centered Lattices - Monoclinic 1
Is it possible to import into P-lattices one or more lattice planes without
destroying the symmetry?
For monoclinic P-lattice, P2/m,
Each point of the lattice has 2/m symmetry, which implies the presence
of an inversion center in the point.
Insertion of new lattice planes parallel to (010) into the lattice is only
possible if the lattice point fall on a position which also has symmetry 2/m, i.e. on
1/2,0,0; 0,1/2,0; 0,0,1/2; 1/2,1/2,0; 1/2,0,1/2; 0,1/2,1/2; or 1/2,1/2,1/2.
project onto x,0,z
90
90
>90
x
z
y
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Centered Lattices - Monoclinic 2
C-lattice or C-face centered lattice:
a,b-face 1/2,1/2,0
A-lattice or A-face centered lattice:
b,c-face 0,1/2,1/2
B-lattice or face centered lattice:
a,c-face 1/2,0,1/2
Monoclinic with
smaller unit cell
90
>90
x
z
y
x
z
y
x
z
y
A-lattice converted into C-lattice
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Centered Lattices - Monoclinic 3
F-lattice or all-face centered lattice:
1/2,1/2,0 and 0,1/2,1/2
Reduce F-lattice into C-lattice
C-lattice with half
the volume
=
I-lattice or body centered lattice:
1/2,1/2,1/2
90
>90
x
z
y
I-lattice convert to C-lattice
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Centered Lattices
Monoclinic lattice:
A, I, F C; B P
Orthorhombic lattice:
A, B C
Tetragonal lattice:
A, B, C, F I
Cubic lattice:
A, B, C I;
Space group symbols for the 14 Bravais lattice
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Crystal system
All crystals, all crystal structures and all crystal morphologies which can be
defined by the same axial system belong to the same crystal system.
14 Bravais-lattice, 7 primitive
Crystal structure = Lattice + Basis
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Principle to choise the unit cell:
Bravais lattice - Bravais-Regeln
Maximal Symmetry
Smallest Volume
Orthogonality
Shortest Basis vector
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Axis system:
Unit cell:
a = b = c
= = = 90
Wrfel
Crystal system - Cubic
a
b
c
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Axis system:
Unit cell:
a = b c
= = = 90
Tetragonal Prisma
Crystal system - Tetragonal
a
b
c
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Beispiel: Topas
Crystal system - Orthorhombisch
Axis system:
Unit cell:
a b c
= = = 90
Quader
a
b
c
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Axis system:
Unit cell:
a = b c
= = 90, = 120
oder a
1
= a
2
= a
3
c
1/3 hexagonal Prisma
a
1
a
2
a
3
Crystal system - Hexagonal
a
b
c
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Crystal system - Trigonal / Rhomboedrisch
Axis system:
Unit cell:
Rhomboedrisch:
a = b = c = = 90
oder a = b c = = 90, = 120
Rhomboder
a
b
c
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Axis system:
Unit cell:
a b c
= = 90, > 90
oder = = 90, > 90
Parallelpiped
Crystal system - Monoklin
a
b
c
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Axis system:
Unit cell:
a b c

Parallelpiped
Crystal system - Triklin
a
b
c
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There are 14 possible Bravais-lattice, whose 3-dimensional
periodic structure could be constructured from one point.
These translation lattice can be primitive
or
centered.
There are 7 primitive und 7 centred Bravais-lattice.
Bravais Lattice - Summary