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The techniques that are used to "take a shape and match it exactly to
another” are called transformations
Inorganic crystals usually have the shape which reflects their internal
symmetry
Unit cell = The smallest repetitive volume of the crystal, which when
stacked together with replication reproduces the whole crystal
(b) to (e) correct unit cell: choice of origin is arbitrary but the cells should be identical;
(f) incorrect unit cell: not permissible to isolate unit cells from each other (1 and 2 are
not identical)
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A. West: Solid state chemistry and its applications
Some Definitions
• Asymmetric unit: The minimum unit from which the structure can be
generated by symmetry operations
* Besides identity
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1. Translation (“move”)
Translation moves all the points in the asymmetric unit the same
distance in the same direction.
Drawn
symbol
CRYSTALS MOLECULES
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3. Reflections
A reflection flips all points in the asymmetric unit over a line called
mirror.
• Symbol: m
• Representation: a solid line
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4. Glide Reflections
Glide reflection reflects the asymmetric unit across a mirror and
then translates it parallel to the mirror
• Symbol: g
• Representation: a dashed line
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Point group symmetry
6 mm (6-fold axis
10. and 6 mirror lines)*
5. 6 (six fold axis)
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* Second “m” in the symbol refers to the second type of mirror line
Non-periodic 2D patterns
• 5-fold , 7-fold, etc. axes are not compatible with translation non-periodic two
dimensional patterns
Ex: Starfish
Wikipedia.org
5m (five fold axis + mirror) A Penrose tiling
Group of atoms or viruses can form “quasicrystals” (quasicristals = ordered structural forms
that are non-periodic)
1. oblique(parallelogram) (a ≠ b, ≠ 90°)
2. Rectangular (a b, 90ᵒ)
3. Square (a = b, 90ᵒ)
4. Centered rectangular or diamond (a b, 90ᵒ)
5. Rhombic or hexagonal (a = b, 120ᵒ)
When point group symmetries are combined with the possible lattice
cells 17 plane groups.
Steps:
2 3 1. 2-fold rotation through A moves the motif from 1 to 2
2. translation by T moves the motif from 2 to 3
is the motif Or
1. 2-fold rotation through B moves the motif from 1 to 3
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2-fold axis combined with translation
1 8 4 1 4
T2
T1 T1
T1+T2
Pair of motifs: 6 7
2 T2 3 2 3
9
•2-fold rotation at 1 combined with translation T 1 gives the rotation 6 (rotation 6 is translated
to 7 by T2)
•2-fold rotation at 1 combined with translation T 2 gives the rotation 8 (rotation 8 is translated
to 9 by T1)
•2-fold rotation at 1 combined with translation T 1+T2 gives the rotation in the middle
The blue, red, green and yellow marked are independent 2-fold axes:
they relate different objects pair-wise in the pattern no any pair of
the blue and one of the red, green or yellow 2-fold axis describe the
same pair-wise relationship L. Viciu| AC II | Symmetry in 2D
4/24/2013 21
6-fold axis combined with translation
6-fold axis contains 2/6, 2/3, 2/2 rotations All the operations of
a 3-fold axis
combined with
translation and of a
2-fold axis combined
with translation will
be included for a p6
plane group
Four non-equivalent 2-fold axes to the plane Three non-equivalent 3-fold axes to the plane
(0 0; ½ ½ , ½ 0, 0 ½ ) 00, 2/3 1/3, 1/3 2/3)
Four fold axis Six fold axis
Two non-equivalent 4-fold axes to the plane; One non-equivalent 6-fold axes to the plane;
One non-equivalent 2-fold axis to the plane; One non-equivalent 3-fold axis to the plane;
(00, ½ ½) and ( ½ 0, 0 ½ ) (0 0) ; (2/3 1/3 , 1/3 2/3) and ( ½ 0)
4/24/2013 L. Viciu| AC II | Symmetry in 2D
Martin Buerger: An introduction to fundamental geometric features of crystals 23
2. Combining a reflection with translation
A reflection combined with a translation to it is another reflection at
½ of that perpendicular translation
1. A rectangular cell
1
1 2 3 Translation
1 2
2 1 3
*2
*the mirror 2 is situated at ½ distance of the translation
- Pair of motifs
The mirror 2 is independent from 1 because the position of the objects (1 and 2)
relative to the mirror in the center (2)of the cell is distinct from the position of the
same objects relative to the first mirror (1)
21 1 2
22
2
- Pair of motifs 11 1 12
1
T *T(T+T)=glide plane
T The glide will be at the half distance of T
T
g1 g2 Reflecting 1 by a
3 mirror in the
2
1 center of the
3’
edges gives 3’;
T() Gliding 3’ half of
Tparallel gives 3
g1 g2
2
1
1
1’ Guide to the eye
1 2 2
Two reflections:
1 1’ by reflection on 1 One rotation:
1’ 2 by reflection on 2 1 2 by two times rotation
1 2
1 1' 2
rotation by 2
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5. Combining a rotation with a reflection
A rotation by followed by a reflection 1 will result in another
reflection which will be situated at an angle /2 relative to the first
reflection
1 3
2 3
1
1 2
2
rotationby reflection by 1
1 2 3
reflection by 2
p1 p2
Plane groups p1 and p2
p stands for the fact that we have only one lattice point per cell primitive lattice
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L. Viciu| AC II | Symmetry in 2D m x m z 31
2. Rectangular (a b, 90ᵒ)
motif: motif:
pmg2
pgg2
pmg2
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3. Square (a = b, 90ᵒ)
Possible motifs:
m 2mm
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Diamond vs. centered rectangular
Plane groups:
p3, p31m, p3m1, p6 and p6mm
Possible motifs:
p3m1 p31m
The mirrors are to the translation The translation is along
(the translation comes in the middle of the the mirror planes
mirrors)
p3m1 +p31m
When we add the symmetry elements we should make sure that all the symmetry
elements are left invariant (we don’t create additional translations or consequently
more axes and planes;
x x
x
The atom will be then moved by
y
y translation to every lattice point
x
It is possible to say also 1-x 1-y
y
But is more esthetic to give the 1-y
positions x y and 1-x
xy
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1. Highest 2. Has reflection?
order
rotation? Yes No
6-fold p6mm p6
3. Has mirrors at 45°?
4-fold p4
Yes: p4mm No: p4gm
3. Has rot. centre off mirrors?
3-fold p3
Yes: p31m No: p3m1
3. Has perpendicular reflections?
Has glide reflection?
Yes No
2-fold Has rot. centre off mirrors?
pmg2 Yes: pgg2 No: p2
Yes: cmm2 No: pmm2
Has glide axis off mirrors? Has glide reflection?
none
Yes: cm No: pm Yes: pg No: p1
3. Locate a single lattice point for each occurrence of the motif. It is a good idea to
locate the lattice points at a symmetry element location.
5. Determine the plane group by comparing the symmetry elements present to the
17 plane patterns.
No symmetry besides translation: The lattice type is oblique, plane group p1. Each
unit mesh (unit cell) contains 1 white bird and 1 blue bird.
No symmetry besides translation: The lattice type is oblique, plane group p1. Each
unit mesh (unit cell) contains 1 white bird and 1 blue bird.