Table of space groups for calculating phonon structures
| Symbol
| Factor group
| Positions
| Examples
|
Triclinic Structures
(#1-#2) | aPn |
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|
1
| P1
| C1
|
| FeS2 |
Monoclinic Structures
(#3-#15) | mPn,mCn
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Orthorhombic Structures
(#16-#74) | oPn,oFn,oIn,oCn
|
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|
69
| Fmmm
| D2h23
| 2D2h(1);3C2h(2);D2(2);
3C2v(2);2C2(4);3Cs(4);
C1(8)
| Graphite
|
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Tetragonal Structures
(#75-#142) | tPn,tIn
|
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|
134
| P42/nnm | D4h12
| 2D2d(2);2D2(4);2C2h(4);
C2v(4);5C,(8);Cs(8);
C1(16)
| MnF2
|
141
| I41/amd | D4h14 | 2D2d(2);2C2h(4);C2v(4);
2C2(8);Cs(8);C1(16)
| TiO2 |
Trigonal Structures
(#143-#167) | hPn,hRn
|
|
|
|
150
| P321
| D32
| 2D3(1);2C3(2);2C2(3);
C1(6) | Nd3Ga5SiO14
|
160
| R3m | C3v5 | C3v(1); Cs(3);C1(6) | NiS(B13),Moissanite-9R (CSi) |
161
| R3c
| C3v6
| C3(2); C1(6) | BiFeO3
|
166
| R-3m
| D3d5
| 2D3d(1);C3v(2);2C2h(3);
2C2(6);Cs(6);C1(12) | alpha-As,LuFe2O4
|
167
| R-3c
| D3d6 | D3(2);C3i(2);C3(4);
Ci(6);C2(6);C1(12)
| Corundum
(Al2O3,Cr2O3,Fe2O3) |
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Hexagonal Structures
(#168-#194) | hPn
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186
| P63mc | C3v4 | 2C3v(2);Cs(6);C1(12) | Wurtzite, SiC(Moissanite)
|
194
| P63/mmc | D6h4
| D3d(2);3D3h(2);2C3v(4);
C2h(6);C2v(6);C2(12);
2Cs(12);C1(24)
| MoS2,WS2,BN(Bk) |
Cubic Structures
(#195-#230) | cPn,cFn,cIn
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