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1. W. B-Ott, Crystallography-chapter 5, 7, 8

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(1)

Chapter 5 Symmetry

(2)

Reading Assignment:

1. W. B-Ott, Crystallography-chapter 5, 7, 8

http://www.popularphilosophy.com/ideas/2005/3/15/symmetry-of-symmetries.html http://www.wittandwisdom.com/photos/witt_and_wisdom_photos/symmetry.html http://www.sculpturegallery.com/sculpture/symmetry.html

(3)

Contents

Rotation Axis, Reflection, Inversion Rotation Axis, Reflection, Inversion

Rotoinversion/Rotoreflection Rotoinversion/Rotoreflection

Combination Combination 3

1 2

4

Symmetry, Symmetry Operation Symmetry, Symmetry Operation

5 32 Point Group 32 Point Group

6 Crystal, Molecular Symmetry Crystal, Molecular Symmetry

(4)

Symmetry

- Repetition

1. Lattice translation- three non-coplanar lattice translation space lattice

2. Rotation (회전) 3. Reflection (반사) 4. Inversion (반전)

W. B-Ott, Crystallography

(5)

Symmetry Aspects of M. C. Escher’s Periodic Drawings

By C. Macgillavry

(6)

Fig. 1.1. Pattern based on a fourteenth-century Persian tiling design.

http://www.iucr.ac.uk/

(7)

Fig. 1.2. A teacup, showing its mirror plane of symmetry. (After L.

S. Dent Glasser, Crystallography & its applications: Van Nostrand Reinhold, 1977.)

http://www.iucr.ac.uk/

(8)

Fig. 1.3. Some symmetry elements, represented by human figures. (a) Mirror plane, shown as dashed line, in elevation and plan. (b) Twofold axis, lying along broken line in elevation, passing perpendicularly through clasped hands in plan. (c) Combination of twofold axis with mirror planes; the position of the symmetry elements given only in plan. (d) Threefold axis, shown in plan only. (e) Centre of symmetry (in centre of clasped hands). (f) Fourfold inversion axis, in elevation and plan, running along the dashed line and through the centre of the clasped hands.

(After L. S. Dent Glasser, Chapter 19, The Chemistry of Cements: Academic Press, 1964.)

http://www.iucr.ac.uk/

(9)

* All repetition operations are called symmetry operations.

Symmetry consists of the repetition of a pattern by the application of specific rules.

* When a symmetry operation has a locus, that is a point, or a line, or a plane that is left unchanged by the operation, this locus is referred to as the symmetry element.

* Symmetry operation symmetry element reflection mirror plane rotation rotation axis inversion inversion center

(center of symmetry)

Symmetry

(10)

Rotation Axis

- general plane lattice

180o rotation about the central lattice point A- coincidence - 2 fold rotation axis

symbol: 2, €

normal or parallel to plane of paper

A

360

o

2

n π

φ φ

= =

W. B-Ott, Crystallography

(11)

360

o

2

n π

φ φ

= =

-n-fold axis φ: minimum angle required to reach a position indistinguishable -n > 2 produce at least two other points lying in a plane normal to it

- three non-colinear points define a lattice plane - fulfill the conditions for being a lattice plane

(translational periodicity)

- 3 fold axis: φ= 120o, n=3, - 4 fold axis: φ=90o, n=4,

Rotation Axis

W. B-Ott, Crystallography

(12)

-5 fold axis: φ= 72o, n=5, - 6 fold axis: φ=60o, n=6,

II-V and III-IV parallel but

not equal or integral ratio

* In space lattices and consequently in crystals, only 1-, 2-, 3-, 4-, and 6-fold rotation axes can occur.

Rotation Axis

W. B-Ott, Crystallography

(13)

http://jcrystal.com/steffenweber/JAVA/jtiling/jtiling.html

(14)

Rotation Axis

M. Buerger, Elementary Crystallography

(15)

- limitation of φ set by translation periodicity

a G

φ φ

b G = ma G

A A’

B b G B’

where m is an integer

2 cos 1 2 cos cos 1

2 ma a a m

m

φ φ φ

= −

= −

= −

m cos φ φ n

-1 1 2 π 1

0 ½ π/3 6

1 0 π/2 4 2 -½ 2 π/3 3 3 -1 π 2 1. 2, 3, 4, 6

Rotation Axis

(16)

- Matrix representation of rotation in Cartesian coordinate

직교축계에서 z축을 회전축으로 하고 φ각만큼 회전시킨 회전조작

1

cos sin 0

( ) sin cos 0

0 0 1

R n

z

φ φ

φ φ

⎛ − ⎞

⎜ ⎟

= ⎜ ⎟

⎜ ⎟

⎝ ⎠

1

1 0 0

(2 ) 0 1 0

0 0 1

R z

=

1

1 3

2 2 0

3 1

(3 ) 0

2 2

0 0 1

R z

=

2

1 3

2 2 0

3 1

(3 ) 0

2 2

0 0 1

R z

= −

Rotation Axis

(17)

1

0 1 0

(4 ) 1 0 0

0 0 1

R z

⎛ − ⎞

⎜ ⎟

= ⎜ ⎟

⎜ ⎟

⎝ ⎠

2 1

1 0 0

(4 ) (2 ) 0 1 0

0 0 1

z z

R R

⎛− ⎞

⎜ ⎟

= = ⎜ − ⎟

⎜ ⎟

⎝ ⎠

3

0 1 0 (4 ) 1 0 0 0 0 1 R z

⎛ ⎞

⎜ ⎟

= −⎜ ⎟

⎜ ⎟

⎝ ⎠

1 2 3

0 1 0 1 0 0 0 1 0

(4 ) (4 ) 1 0 0 0 1 0 1 0 0 (4 )

0 0 1 0 0 1 0 0 1

z z z

R R R

− −

⎛ ⎞⎛ ⎞ ⎛ ⎞

⎜ ⎟⎜ ⎟ ⎜ ⎟

• =⎜ ⎟⎜ − ⎟ ⎜= − ⎟ =

⎜ ⎟⎜ ⎟ ⎜ ⎟

⎝ ⎠⎝ ⎠ ⎝ ⎠

1

1 3

2 2 0

3 1

(6 ) 0

2 2

0 0 1

R z

= ⎜

5

1 3

2 2 0

3 1

(6 ) 0

2 2

0 0 1

R z

= −

2 1

(6 )

z

(3 )

z

R = R

3 1

(6 )

z

(2 )

z

R = R

4 2

(6 )

z

(3 )

z

R = R

Rotation Axis

(18)

Five Plane Lattices

C. Hammond, The Basic Crystallography and Diffraction

(19)

Rotation Axis

1 2 3

4 6

1

(20)

- hexagonal coordinate a1, a2, a3, c

Miller-Bravais indices ( h k i l ) i=-(h+k)

Rotation Axis

B. D. Cullity, Elements of X-ray Diffraction

(21)

Standard (0001) projection (hexagonal, c/a=1.86)

Rotation Axis

B. D. Cullity, Elements of X-ray Diffraction

(22)

(x1,y1,z1)

(x2,y2,z2) (x3,y3,z3)

2 1

x = − y

2 1 1

y = − x y

2 1

z = z

3 1 1

x = − + x y

3 1

y = − x

3 1

x = z

1

0 1 0

(3 ) 1 1 0

0 0 1

R z

⎛ − ⎞

⎜ ⎟

= ⎜ − ⎟

⎜ ⎟

⎝ ⎠

2

1 1 0 (3 ) 1 0 0 0 0 1 R z

⎛− ⎞

⎜ ⎟

= −⎜ ⎟

⎜ ⎟

⎝ ⎠

1

1 3

2 2 0

3 1

(3 ) 0

2 2

0 0 1

R z

=

* Cartesian coordinate

Rotation Axis

(23)

- reflection, a plane of symmetry or a mirror plane, m, |,

Tartaric acid

Reflection

C. Hammond, The Basic Crystallography and Diffraction

(24)

rectangular centered rectangular

2 1

x = x

2 1

y = y

2 1

z = − z

• mxy (mz)

1 0 0

( ) 0 1 0

0 0 1

R mz

⎛ ⎞

⎜ ⎟

= ⎜ ⎟

⎜ − ⎟

⎝ ⎠

myz (mx)

2 1

x = − x

2 1

y = y

2 1

z = z

1 0 0

( ) 0 1 0

0 0 1 R mx

⎛− ⎞

⎜ ⎟

= ⎜ ⎟

⎜ ⎟

⎝ ⎠

(

z

) 1 R m = −

enantiomorph 대장상

Reflection

W. B-Ott, Crystallography

(25)

- inversion, center of symmetry or inversion center,

1

All lattices are centrosymmteric.

2 1

x = − x

2 1

y = − y

2 1

z = − z

1 0 0

(1) 0 1 0

0 0 1

R

⎛− ⎞

⎜ ⎟

= ⎜ − ⎟

⎜ − ⎟

⎝ ⎠

(1) 1 R = −

Inversion

C. Hammond, The Basic Crystallography and Diffraction

(26)

http://www.gh.wits.ac.za/craig/diagrams/

Inversion

(27)

Compound Symmetry Operation

- link of translation, rotation, reflection, and inversion operation -compound symmetry operation

two symmetry operation in sequence as a single event - combination of symmetry operations

two or more individual symmetry operations are combined which are themselves symmetry operations

compound combination

W. B-Ott, Crystallography

(28)

Compound Symmetry Operation

W. B-Ott, Crystallography

(29)

Rotoinversion

-compound symmetry operation of rotation and inversion -rotoinversion axis

- 1, 2, 3, 4, 6 -Æ -

n

1, 2, 3, 4, 6 1

• •

up, right down, left

W. B-Ott, Crystallography

(30)

-

2( ≡ m )

mxy (mz) -

3 ≡ + 3 1

1 2

3 4

5

6 1

2

Rotoinversion

W. B-Ott, Crystallography

(31)

-

4

- 6

• 1

2

3

4

4 2

3

1 5

6

Rotoinversion

W. B-Ott, Crystallography

(32)

1 ≡ 2 ≡ m , 3 ≡ + 3 1, 4 6 ≡ ⊥ 3 m ,

- inversion center, implies

- only rotoinversion axes of odd order imply the presence of an inversion center

2,

Rotoreflection

S

1

= m S

2

= 1 S

3

= 6 S

4

= 4 S

6

= 3 S

1

= m

1 • 2

- The axes and , including and , are called point-symmetry element, since their operations always leave at least one point unmoved

n n 1 m

Rotoinversion

(33)

Combination

- a mirror plane is added normal to the rotation axis, mX

φ m

1 ( m)

m

• 1 2

1 2 2

m

• 3

4 3 ( 6)

m

4 6

2

1 6 3

5

(34)

- a mirror plane is added normal to the rotation axis, mX

4

m 6

m

• 4

7

2

5

• •

3

1 8 6

• 11

2 5 10

• 9

1 2

4

6

7 8

12

Combination

(35)

- a mirror plane is added normal to the rotation axis,

Xm

φ m

1 ( m m )

− ≡

1 2

1 2

2 ( 2 m mm mm , 2)

− ≡

3 4

3m

4 6

2

1 6 3

generated 5

Combination

(36)

- a mirror plane is added normal to the rotation axis,

Xm

1 3

4 ( 4 m mm )

− ≡

5 7

6 ( 6 m mm )

− ≡

7

11

3

1 2 5

9

generated 2

4 6

8

4

6

8

10 12

generated

Combination

(37)

Combination of rotation axes

- space lattice

regarded as a stack of plane lattices

only have symmetry axes with n=1,2,3,4,or 6, normal to a net many possible planes

each such plane conform to the symmetry of a particular n-fold axis

restriction to the angular relationships between intersecting n-fold axes

n

n

M. Buerger, Elementary Crystallography

(38)

- Euler construction

- select for attention line AM - select for attention line BN

- intersection of AM’ and BN is C’

intersection of BN’ and AM is C - 1: Aα brings C to C’

2: Bβ brings C’ to C

' / 2

MAB M AM α

∠ = ∠ =

' / 2

NAB N AM β

∠ = ∠ =

Combination of rotation axes

M. Buerger, Elementary Crystallography

(39)

- euler construction

- Aα and Bβ leaves C unchanged

- if there is a motion of points on the sphere due to Aα and Bβ, it must be a rotation about an axis OC

- 1: Aα leaves A unmoved 2: Bβ moves A to A’

- consider the spherical triangle BA’C

- rotation about C carries A to A’ through twice

or through angle γ -

' / 2

ABC A BC φ

∠ = ∠ = AB = A B'

' ABC A BC

Δ = Δ ∠ACB = ∠A CB' = γ / 2

ACB

/ 2, / 2, / 2

U = α V = β W = γ , , :

u v w arcs

cos cos cos

cos sin sin

W U V

w U V

= +

Combination of rotation axes

M. Buerger, Elementary Crystallography

(40)

Combination of rotation axes

M. Buerger, Elementary Crystallography

(41)

Combination of rotation axes

M. Buerger, Elementary Crystallography

(42)

Combination of rotation axes, n2

- 12( ≡2) -222 -32

1 2

4 3

generated

• 4

5

2

1 6 3

6

- 422 -622

2 3 •

• 1 4

5 6

7

• 8

generated 7

11

3

1 2 5

9 4

6

8

10 12

generated

• •

(43)

Combination of rotation axes

- 23 -432

1 2

3

4

5 6

• •

• •

1

2

• 3 •

4

5 6

• •

• •

• 7

8

9• • 10

11

• •

(44)

http://neon.materials.cmu.edu/degraef/pg/

(45)

Combination of rotation axes,

1 3

• 5

6 7

7

11 9

8 10

12

2 n

12( 2 )

− ≡ m 22( 2 mm ) 2

32( 3 )

− ≡ m

42( 42 ) m

− ≡ − 62( 62 ≡ m ≡ 6 2) m

1 2

• 4

3

• 4 2

1 2

3 4

5

• 6

7

9 11

8

10

• •

1 2

4 3

8

4 2

3

1 5

6

(46)

7

11 9

8 10

12

4 2

3

1 5

6

62m 6 2 m

<c><a><210> <c><a><210>

(47)

1 m ( 2 mm )

m ≡ 2 2 2 2

( )

m m m m m

− ≡ 3 m ( 6 2) m

m

4 4 2 2

( )

m m m m m

− ≡ 6 6 2 2

( )

m m m m m

− ≡

• 1 2

• 34

1 2

• 3 4

• 5

6

7

8

4 6

2

1 3

5

7

12 9 8

10

• 11

• 4

7

2

5

• •

3

1 8 6

• •

913 1014

16 12 15

11

• 11•

3 5 10

9

1

2 4

6

7

8 12

• •

1319

(48)

2 3( m 3)

m

1 2

9

10

• •

3 4

• 5 6

• 7 8

43m

2

6

1

• •

•• • 5

7 3

4

8 9

(49)

9 1

• 10

6 3

5 7

8 •

4 2

3 ( m m 3 )

m m

15

2

4 16

1211 14 13

• •

• •

• •

• •

• •

(50)

http://neon.materials.cmu.edu/degraef/pg/

(51)

32 Point Group

- Schonflies symbol vs. International symbol

W. B-Ott, Crystallography

(52)

W. B-Ott, Crystallography

(53)

W. B-Ott, Crystallography

(54)

W. B-Ott, Crystallography

(55)

W. B-Ott, Crystallography

(56)

1

2

2

m

• 3 4

• 12

m

− 2

1 2

Monoclinic

(57)

W. B-Ott, Crystallography

(58)

Crystal Symmetry

-galena (PbS) 4 2

m m 3

W. B-Ott, Crystallography

(59)

http://www.gh.wits.ac.za/craig/diagrams/benze.gif

- benzene(C

6

H

6

)

Molecular Symmetry

6 2 2 m m m

6

• •

(60)

http://www.gh.wits.ac.za/craig/diagrams/thiou.gif

- thiourea

Molecular Symmetry

2

mm

(61)

Molecular Symmetry

W. B-Ott, Crystallography

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