Appendix VIII: Character

Tables for Some of the More

Common Point Groups
Character tables are given in this appendix for the following point groups: (1)
the groups which correspond to the 32 crystal classes (see Table 8-14), (2)
groups containing 5-fold axes that may be needed to describe the symmetries
of certain molecules or complex ions, and (3) the infinite groups Goov and
&oQ\\ that are appropriate to linear structures.
Some comment on the notation for the irreducible representations
(symmetry species) is necessary, as certain variations will be found in
the Hterature. Molecular spectroscopists usually designate one-dimensional
symmetry species by A or B, two-dimensional species by , and threedimensional species by F or T. Some authors prefer lower-case letters to
capitals. The symmetry or antisymmetry of a given species with respect to
the generating rotation operation distinguishes A and B. Subscripts 1 and 2
are used on A and B according to the symmetry with respect to rotation
about a C2 axis perpendicular to the generating axis. Symmetry with respect
to inversion is indicated by a subscript g or u (see Section 4.4.2), while a
prime or double prime identifies species that are, respectively, symmetric or
antisymmetric with respect to a horizontal plane. Finally numerical subscripts
are used to distinguish various doubly and triply degenerate species.
For linear molecules or ions the symbols are usually those derived from
the term symbols for the electronic states of diatomic and other linear
molecules. A capital Greek letter H, n , A, O, ... is used, corresponding to
A. = 0, 1, 2, 3 , . . . , where X is the quantum number for rotation about the
molecular axis. For E species a superscript + or is added to indicate the
symmetry with respect to a plane that contains the molecular axis.
The components of the translation and rotation vectors are given as T^.Ty, T^
and Rx,Ry,Rz, respectively. The components of the polarizabiHty tensor
appear as Unear combinations such as a^x + ccyy, etc., that have the symmetry
of the indicated irreducible representation.

374

MATHEMATICS FOR CHEMISTRY AND PHYSICS

Table 1

Character tables for the cycHc groups, Gn{n = 2, 3, 4, 5, 6).

^2

C2

A
B

1
1

1
-1

^3

1 1
1 s

Cs

Otxy
Otyz^Otzx

A
B

1
1
1 -1

ii
11

El
E2

A
B
E,

i!

E2

Ii

C6

1
-1
e

(T;,

g2*

^2

c.

Ci

1
1
-1
e

Tz, Rz

(of^,, Otzx)

(T,,Ty),iRx,Ry)

2*1

^ 1

1
1
e

-\-CXyy,a,,

-ayy,oi,,

((Xyz.Oi,^)

exp(2ni/5)

fc;c

-ayy,axy)

(T,, T,), (/?,, /?,)

= exp(27ii/6)

^3

1*1

-8^
6

OixX

a^^

c|

"-5

1
e

{a^^ -ayy.a^y),

C2

e
e

r,), (/?,, /?,)

1
1
1 -1
-1
/ - 1

Cs

(?6

C4

I!

(?5

01XX -\-otyy,a^^

^A

s = exp(27Ti/3)

*^3

- * |

Tz,Rz
(T Ty), (Rx, R,.)

01XX

{Uyz

\Ol-XX

+ayy,azz

-Olzx)

Oiyy^ Oixy)

375

VIII. CHARACTER TABLES

Table 2

Character tables for the dihedral groups, ^(n = 2, 3, 4, 5, 6).

&2 = V

Ciiz)

C2(y)

Ciix)

1
1
1
1

1
1
-1
-1

1
-1
1
-1

1
-1
-1
1

Bi
B2
B3

^ 3

2C3

3q

Ai
A2
E

1
1
2

1
1
-1

1
-1
0

2C4

C2

2q

1C{

Ai
A2
Bi
B2

1
1
1
1
2

1
1
-1
-1
0

1
1
1
1
-2

1
-1
1
-1
0

1
-1
-1
1
0

&5

Ai
A2
El
E2

1
1
2
2

^ 6

Ai
A2

B,
B2
El
E2

2C5

01XV

Tx, Rx

Oiyz

Otzx

{Oixx

1C\

-ayy,axy),

{ay^^a^x)

aXX

-\-GLyy.OL^z

7;,/?z
CLXX -

Oiyy

Olxx

{Jx.Ty).{Rx.Ry)

{ay.^OL^x)

a = 72

5C2

1
1
1
1
2 cos a 2 cos lot
2 cos 2oi 2 cos oi

1
-1
0
0

2C6

C2

3C^

3^'

1
1
1
1
2
2

1
1
1
-1
1
-1
-1 -2
-1
1
2

1
-1
1
-1
0
0

1
-1
-1
1
0
0

2C3

o(xx,ayy,a^.
T.,R.
rv,/?v

oixx -\-ayy,a,,
T.,R.
(Tx,Tyi(Rx.Ry)

(aya,x)

(aXX -ayy.otxy)

otxx

^Otyy,azz

Tz, Rz
{Tx,T,)ARx,Ry)

(ay^^a^x)
(aXX
-ayy,axy)

376

MATHEMATICS FOR CHEMISTRY AND PHYSICS

Table 3

^2/

=n

Character tables for the groups 0nh(n = 2, 3, 4, 5, 6).

C2(Z)

C2ix)

Ciiy)

cr(xy)

oixz)

<7{yz)

Ag
Big

0(XX J 01 yy , a^Z

-1

B2g
B3g

-1

-1

Au
Bi
B2u

-1

Bsu

-1

'^3h

A',
A',

E'

A-

2C3

A;^

1
2

-1

(^h

'^Ah

2C4

Alg
A2g

-1
-1

Ci

Big

-1

B2g

-1

Eg
Aiu
A2u
Blu
B2u
Eu

1
1
1
1
2

1
1
-1
-1
0

oixx
Rz
(Tx,Ty)

-1

-1

254
1

1
1

1
-1
1
-1
0

1
-1
-1
1
0

-1
-1
-1
-1
-2

-1
-1
1
1
0

2C\

5C^

^h

-ayy,axy)

(0(yx,0(zx)

lOv

^h

-1

-1

(aXX

iRx,Ry)

-1

-^ciyy^ctzz

Tz

Otyz

azx

-1

A;

Rx

3ov

2C5

otxy

Tr
Ty
Tx

-1

-1

Rz
Ry

-1

~1

i^5h

-1
1

2C'{

-1
1
-1

-1

-2
1
1
1
1
-2

253

2^2

-1

-1

-2

-1

-1

1
-1
-1

0
-I

-1

1
-1
1
-1

-1

E^'

-1

-1

3C^

"~1

-1

2od

1
-1

otxx
-1

-1

-1

-2

-1
-1
-1
-1
2

-1
1
-1
1
0

-1
1
1
-1
0

255

2Sl

-1

+oiyy,azz

Rz
Olxx ~ <^yy
OCxy

(ayz,azx)

{Rx.Ry)
Tz

{Tx,Ty)

a = 72

5ay
1

axx -i-OCyy,
o^zz

-1

2 cos a

2 cos 2a.

2C05Q?

2 cos 2a

E^

2 cos 2Q'

2 cos a

2 co^' 2Q'

2 cos a

A'/

A?

E;

2 cos a

E2

2 cos 2a

-1

-1

_1

-1

-1

-1

-1

2 cos 2 a

-2

2cos a

2 cos 2 a

2 cos a

-2

2 cos 2a

2 cos a

Rz
(Tx,Ty)
{otxx
ayy, axy)

-1
Tz
(Rx,Ry)

(oiyz^otzx)

377

VIII. CHARACTER TABLES

Table 3
'^6h

E 2C6 2C3 Ci

Aig
A2g
Big
B2g
Eig
E2g

1
1
1
1
2
2

Aiu
A2u

1
1
1
2
2

B2u
Eiu
E2u

Ag

^^d

^ai;

-1
-1

-1
-1

1
1 -1
1
-1
-1 -1
-2
0
2
0

1 1 1 1 1 1 1
-1 -1 -1 - 1 - 1 1 1
-1 -1
1 - 1 1 - 1
1
1 -1
1 - 1 1 1 - 1
0 -2 -1
1 2
0
0
0 -2
1
1 - 2 0 0

Table 4
J^2 ^ (?i

253 256 ^h

1
-1
-1
1
0
0

-1
-1

1
1
1 -1
-1
1
-1 -1
-2
0
2
0

-1
-1
-1

3C^ 3C^'

(Continued).

1 1
1 1 1 1
1
1
1
1 - 1 1 -1
1-1
11 -1
1 - 1 - 1
2
1 - 1 - 2
0
2 - 1 - 1 2
0

Olxx

1
1
1
0
0

-^0(yy,azz

Rz

(Rx,Ry)

(0(yz,0(zx)

(axx

-ayy,axy)

Tz
(Tx^Ty)

Character tables for the groups tfn(n = 2,4, 6, 8).

/
1

Rx, Ry, Rz

^xx 1 ^yy 1 ^zz'

^xy

Oiyz.Olzx

Au
J^4

-1

Tx.Ty^Tz
S^

C2

^4

04

A
B
E

-A

1
1

i;

A
E
J'8

Rz
Tz
(Tx,Ty),{Rx,Ry)

][

11
11

][

*1

][

C]

^6

- ][
-]

8^

-]

e* 8 j

E,

1;
II
II

C4

1
-1
i
1

/
I

sl

*1

C2

^8

1
1

1
-1

-8^

-1

/
/

Rz
(Rx,Ry)

+Olyy,ClzZ

(axx -ayy,axy),

(ayz, 01 zx)

Tz
{Tx,Ty)
C^
^4

1
1
/
-1
-1

8^
8

exp(2ni/3)

a XX

^^8

1
-1
*1

e 1

I
1
1 i

8
1
* - 1

+Ctyy,OlzZ

8=

8^

58

OtxX

otxx -ayy,axy
(ayz,azx)

^^

1
s

1
-1

e* J
-1 -1

[
[

E3

1
-1

C3

A
B

E2

1
1
-1
-1

Ag
Eg

1
-1
/
/

-;i
4*1

8 =

Rz
Tz
(Tx.Ty)

exp(2jTi/S)
otxx ^oiyy^azz

(axx
(Rx.Ry)

-ayy,axy)

(ayz,azx)

378

MATHEMATICS FOR CHEMISTRY AND PHYSICS

Table 5 Character tables for the groups 6'nh(n = 1, 2, 3,4, 5, 6).

^M/. ^ 6^.

CTh

A'

o(xx,oiyy,azz,oexy

^hh

Ag

Bg
Au
Bu

-1

1
1

1
-1

Tz,Rx,Ry

Ci

(^h
1

-1

Rz
Rx,Ry

-1
-1

-1
1

Tz
Tx,Ty

^^'3h

C3

r2
C3

A'

E'

c^/z

[1 ^*

A"

6\Ah

. *

-1

C2

Rz

:*l
:*l

-1

C4

5^
^^3
1

'^3

-1

1^ ^

E^'

axx.o(yY,azz,oexv
0fyz'zx

(Tx,Ty)

-1

- . *

Cl

S.

expilni/S)

oixx

+ayy,azz

{aXX

-ayy,axy)

Tz
{ayz,azx)

(Rx,Ry)

Oh

54

Ag
Ba

Oixx -\-ayy,azz
Oixx ~ 01 yy , CKxy
(oeyz,o(zx)

{Rx.Ry)
Au
Bu

Tz
{Tx,Ty)

^hh

Cs

C2
^5

A'

{1 U
^2
A^^
^1

E'f
^2

j 1 s^
i 1 ^2*
1

1;:.

1 1 .2
1 1 .2*

*-5

Cs

1
.2*

.2*

^2

.*

e
1
.2

Or/j

55

"^5

^5

^5

1
.2

1
^2*

.2*

.2

8^
8
.2*

8^

*
1
^2*

.2

^2*
-

^2*

.2

.*

^2* -

6:

8*

.2

.2

1
8^

-1
-.2

8^
-1
-.2*

-8^
-.2

-.2*

-^2

-.*

-^2*

- 8 *

-1

;*l

Rz

-^2* 1

-^ 1

oixx

-^oiyy^azz

{aXX

.2 1

:f 1

exp{2iTi/5)

(Tz,Ty)

^2* 1

-1

8 =

-ayy,axy)

Tz
(Rx,Ry)

(ayz

+azx)

VIII. CHARACTER TABLES

379
Table 5

^'%h

ea

C6

1
1
1 -1
Eig
E2g

{1 U

II:;*

1
1
-1

1 1

-1

11 U
i l -

-1
*
e
-
-e*

-e
f 1 - * s

- *

- *

Table 6

c| '
1
-1
*
e
-
-e*

-8^

Au

E2u

1
1

s
s

Bu
Elu

C2
^3

Ci

(Continued).

5^
^3

^6

or;,

1 1
1
1
1 -1
1 -* 1 *
1

1
-*
-1

1
1

1
-1

e* e
J
*
1
-e - e * j

-1

-1 1 -1
*
- 1
-1
-1 *

-1 e
* -

-1

-1 -1

e = exp{27ti/6)

^6 53
^z

otxx +>>>', "zz

(/?x,/?.v)

(>'Z.ZJC)

(xx -a>7,x>')

-1

T'z

f*

iTx,Ty)

*e
J
e* e
1
e
* J

Character tables for the groups 6\^{n = 2, 3, 4, 5, 6).

^^'21;

Ci

Ovixz)

ov{yz)

Ai
A2
Bi
B2

1
1
1
1

1
1
-1
-1

1
-1
1
-1

1
-1
-1
1

2C3

3cry

Ai
A2
E

1
1
2

1
1
-1

1
-1
0

G\^

2C4

Ci

lo-o

2CTJ

Ai
A2
Bi
B2
E

1
1
1
1
2

1
1
-1
-1
0

I
1
1
1
-2

1
-1
1
-1
0

1
-1
-1
1
0

(^'5v

2C5

icl

5cry

Ai
A2
El
E2

1
1
2
2

1
1
2 cos a
2 cos la

1
1
2 cos 2a
2 cos a

1
-1
0
0

^''6v

2C6

Ai
A2
Bi
B2
El
E2

1
1
1
1
2
2

oixx^oiyy^oizz
0(xy

otzx
oiyz

01XX -^ciyy^cizz

Tz
Rz
iTx,Ty),{Rx,Rv)

idXX - oiyy^axy),

{ayz,azx)

otxx +o(yy,azz

Tx
Rz

otxx - OCyy
Olxy

{Tjc,Ty)ARx,Ry)

(ayz'Oizx)
a = 12
o(xx

Tx
{Tx,Ty)ARx,Ry)

^ayy,azz

(>Z'Zx)

(o(xx

2C3

C2

3ov

3or^

1
-1

1
-1

-1
-1

1
1
1
-1
-2
2

-1
0
0

0
0

-1
-1

Tz
Rz
Tx,Ry
Ty,Rx

Tz
Rz
(7:v Ty), (Rx Ry)

oixx

-ayy,axy)

+ayy,axy

(ayz,azx)
{axx
-ayy,axy)

380

MATHEMATICS FOR CHEMISTRY AND PHYSICS

Table 7 Character tables for the groups, 0nd(n = 2, 3, 4, 5, 6).

CJ)2d = 'I'd

254

Ci

IC'^

Ai
A2
Bi
B2
E

1
1
1
1

1
1
-1
-1

1
1
1
1
-2

1
-1
1
-1
0

2C3

3C2

^^3d

lOd
1

1
1

Eg
Aiu
A2u
Eu

-1

1
1
2

-1

1
-1
0

-1
-1
-2

^4J

258

2C4

25|

C2

otxx

-1
-1
-1
-1

(Rx,Ry)

-1
1
0

Tz
(Tx,Ty)

4C^

1
1
1

1
-1
-1

1
1
1

1
-1
-1

1
1
1

-1
1
-1

-1
-1
1

El

V2

E2

2
2

0
0

0
0

E3

-V2

-V2
0

-2
2

V2

-2

'^5d

2C5

Alg

A2g

Elg
E2g

2CO5Q;

Aiu
A2u
Eiu

1
1
2

E2u

2 2 cos 2oL

IC]

2 2 cos Jjoi
1
1
2 cos a

otxx -\-Otyy,CtzZ

Tz
(Tx,Ty)
ioixx

2^?0

25io

2 C05 2Qf

2 cos a

2 C05 2Qr

2 COS a

2 cos 2a

2 cos a

2 C05 2Qf
2 COS a

25i2

Ai

A2
Bl
B2

1
1

El

E2
E3
E4

2
2
2

1
0
-1

E5

-V3

2C6

-1

254

2C3

-1

V3
-1
-2
-1

-2

6C^

6aj

-1
J

1
-1
1

C2

1
1
J
-1
-1

-V3

-1
2
-1

0
2

0
-1

-1

V3

0
-2

1
-2

oixx

-1

-1
-1
-1
-1
2 cos a 2 cos 2af
2 cos 2 a 2 coj: a

25^2

a = 12

5or^

1 -1
-1 -1
0 -2

-Olyy,Olxy)

{ayz,otzx)

(Rx,Ry)

(0(yz,0(zx)

Rz

-1

^6J

5C2

{Olxx - Clyy.OLxy).

4orj

Ai

0
-2

+ayy,azz

Rz

A2
Bl
B2

{ayz,azx)

3a^

256

A2g

+(Xyy,azz

Otxy

Tz
iT^,Ty),iRx,Ry)

Aig

-1

(Xxx

-1
-1

1
0

0
0

-2
2

0
0

0
0

-2

-\-ayy,azz

Rz
(Rx,Ry)

{ctyz,oizx)
\OtxX ~ Otyy , Olxy )

-1
0
0

Tz
(Tx,Ty)

otxx

^ayy.otzz

Rz
Tz
(Tx,Ty)

{axx

(Rx,Ry)

-ocyy,axy)

(otyz^otzx)

VIII. CHARACTER TABLES

381

Table 8

sr

4C3

1
e
^*
0

e
0

4C3

4Cf

i;

T= F

.5^/,

Ag
E

i:

Tg^Fg

e*
0

Au

Eu

i;

Character tables for the cubic groups.

4Cj

e = exp{2ni/?>)

3C2

II

- Qf^.^O

T,R

-1

1
e*
e
0

3C2

-1

1
1
1
3

e*
0

-1
-

^ d

8C3

3C2

6^4

6or^

Ai
A2
E
Ti=Fi
T2^F2

1
1
2
3
3

1
1
-1
0
0

1
1
2
-1
-1

1
-1
0
1
-1

1
-1
0
-1
1

E 8C3 3C2 6C4

Aig
A2g
Eg

1
1
1
1
2 -1

6q /

1
1
1
1 -1 -1
2
0
0

otxx + >->. + a^z

{aXX -^oiyy
-lotzz,

II

-1

otxx - 01 yy)
{0lxy,0lyz,0lzx)

-1
1

-3

-1

Oh

Tiu = F i u
T2u = F2u

-1
-1

Aiu
A2u
Eu

-1

3
0
3
0
1
1
1
1
2 -1
3
0
3
0

e = exp(27ri/3)

3a

4^6^

T2g = F2g

456

*
e

Tu^Fu

Tig = Fig

(aj,y,ayz,azx)

:|l
T

OixX + Ctyy + Uzz

--Ctyy)

fcjc + a > 7 -lOLzz.Olxx

R
T

iolxy.OLyz^OLzx)

856 3a/, 654 6a^

1 1
1
1
2 -1

-1
1 -1
3 0
-1 -1
1 3 0
1
1
1 -1 -1
1 -1 -1 -1 -1
2
0
0 -2
1
-1
1 -1 -3
0
-1 -1
1 -3
0

1
1
1
1 -1 -1
2
0
0
-1
1 -1
-1 -1
1
-1 -1 -1
1
1
-1
-2
0
0
1 -1
1
1
1 -1

otxx

OLyy

{OLxX + Olyy -

01XX -

azz

lot
zz->
Olyy)

{axy,0(yz,azx)

382

MATHEMATICS FOR CHEMISTRY AND PHYSICS

^
S""

(N

+=^

>. b

S^

+ ' J^
H
H

JJ

0^

'"^
to

1^
-^O
m
CO
(N

1
o

_^ ^^

,_^

o
(N

OH

b
n

-^ + 1
1>

^H

'ICN

'-p
1

r(

1 ^
CO
rsi

-^

l ^

L ^

1 +
ItN

'l(N

CO

CO

7
1

Tf

>-

--

o
>o
m

u
o
<N
(0

1
1

^1 ^1

1^
(N

(N -H

(N

-^

u
(N

T-H

+
ttq

C*J

+ -^

1
tin

CO

CO

^^

in

1
o

l^

1 + -^1

^H

^H

'l(N

1 ^

1 ^

1
,__i

,_! _
,_
1

l^

'ICN

--

+ 1
Irvi

'IfN

CO

CO

DO

III

<

l^

+ ^1

^H

,_H

-H|(N

-H|(N

^1 ^1

^^ ^^

1
^H

, ^^

1
o

(^

-^ -^
cs^

^ ^

1
1 ^

l^

'ICS

tiT
III

III

O X

(50

<

DO

l^

r^

^
-

00
(N

+ ^^1 ^1

-H|(N

-H|(N

CO

CO

60

tC
III

tC
III
00

00

ffi

<

t>r)

rt-

lO

III
(N

ffi

383

VIM. CHARACTER TABLES

Table 10 Character tables for the infinite groups of hnear structures.

^^oou

Ai = i:+

1
1
2
2
2

El = n
E2 = A
E3 = O

^OO/I

^g^
^g"

ng
Ag

^^
^u
Ou
Au

1
1

OOOTi;

2 co^ 0
2 C05 2 0

2 cos 30

2r'^

1
1
2
2

1
1
2 cos 20

1
1
2
2

1
1
2 coj' 0
2 C05 20

2 C05 0

OOO-y

1
-1
0
0
1
-1
0
0

1
-1
0
0
0

oizz -\-oiyy,azz
Rz
iT^,Ty)ARx,Ry)

1
1
2
2
-1
-1
-2
-2

I
1
2cos<f>
2 cos 20

-1
-1
2 C05 0
2 COS 2(f)

{ayz,azx)
(axx
-ayy,axy)

00C2

1
-1
0
0
-1
1
0
0

(Xxx +oeyy,azz
Rz
(Rz^Ry)

Tz
(Tx,Ty)

(ciyz^Olzx)
(0(XX
-0(yy,axy)