(p. 271 ) Appendix 2: Tables for Space Group Determination
Adopted from: International Tables for Crystallography, (2005), Vol. A. Ed. Th. Hahn, 5th edn, Springer, Dordrecht, with kind permission.
In X-ray crystallography the space group of a crystal is determined mainly from the systematic absences in diffraction. First, the crystal class is found (cubic, tetragonal, orthorhombic etc), then the systematically absent (forbidden) reflections. They come in three categories;
-
1. absences for all reflections hkl. These are due to centred lattices (A, B, C, F or I);
-
2. absences in planes hk0, h0l and 0kl. These are due to glide planes (a, b, c, d, e, n);
-
3. absences along lines h00, 0k0 and 00l. These are due to screw axes (21, 31, 32, 41, 42, 43, 61, 62, 63, 64 or 65).
Note that in these tables the ‘conditions limiting possible reflections’ are given, rather than the absent reflections. Thus, they list the reflections that are present (in most cases with even indices n = 2) rather than the forbidden ones (which in most cases have odd indices n = 2 + 1).
If you know these absences, you can determine the space group uniquely in most cases, using these tables.
In a few cases there may be two possible space groups with the same absences (for example P1 and P̄1, Pnma and Pna21). They can only be distinguished based on statistics (see Chapter 9.9).
For electron crystallography the same rules apply, but we have to be extra careful because forbidden reflections often appear in ED patterns, due to multiple diffraction. This is in strong contrast to X-ray diffraction, where the forbidden reflections are really absent. In electron diffraction we may look for systematically weak/strong/weak/strong reflections along an axis – that is a strong indication of a 21 screw axis rather than a 2-fold rotation axis.
Note also that HRTEM images contain crystallographic structure-factor phase information, but this is not mentioned in these tables, because it is not available in diffraction (neither X-ray nor electron diffraction). (p. 272 )
TRICLINIC. Laue class 1̄
|
Point group |
|||
|---|---|---|---|
|
Reflection conditions |
Extinction symbol |
1 |
1̄ |
|
None |
P− |
Pl(l) |
P1̄ (2) |
MONOCLINIC, Laue class 2/m
|
Unique axis b |
Laue class 1 2/m 1 |
|||||
|---|---|---|---|---|---|---|
|
Reflection conditions |
Point group |
|||||
|
hkl0kl hk0 |
h0l h00 00l |
0k0 |
Extinction symbol |
2 |
m |
2/m |
|
Pl−1 |
P121 (3) |
P1m1 (6) |
P1 2/m 1(10) |
|||
|
k |
P121l |
P12 1 l (4) |
P121/ml(ll) |
|||
|
h |
Plal |
Plal (7) |
P1 2/a 1 (13) |
|||
|
h |
k |
P121/al |
P1 21,/a 1 (14) |
|||
|
l |
Plcl |
P 1 c1 (7) |
P 12/c1 (13) |
|||
|
l |
k |
P121,/cl |
P 1 2 1,/c1 (14) |
|||
|
h / l |
Plnl |
Plnl (7) |
P1 2/n 1 (13) |
|||
|
h + l |
k |
P1 21/n 1 |
P1 21/n 1 (14) |
|||
|
h+k |
h |
k |
Cl‐1 |
c 121 (5) |
C 1 m 1 (8) |
C 1 2/m 1(12) |
|
h+k |
h,l |
k |
Clcl |
C 1 c 1 (9) |
C 12/c l(15) |
|
|
k+l |
k |
A1‐1 |
A121 (5) |
A 1ml (8) |
Al 2/m 1 (12) |
|
|
k+l |
h,l |
k |
Alnl |
Alnl (9) |
Al 2/n 1 (15) |
|
|
h+k+l |
h + l |
k |
I1‐1 |
I121 (5) |
I1ml (8) |
I1 2/m 1 (12) |
|
h+k+l |
h,l |
k |
I1a1 |
I1al (9) |
I1 2/a 1 (15) |
|
|
Unique axis c |
Laue class 1 1 2/m |
|||||
|---|---|---|---|---|---|---|
|
Reflection conditions |
Point group |
|||||
|
hkl0kl h0l |
hkO h00 0k0 |
00l |
Extinction symbol |
2 |
m |
2/m |
|
Pll‐ |
P112 (3) |
Pllm(6) |
Pll 2/m (10) |
|||
|
l |
P1121, |
P1121, (4) |
Pll 21,/m(ll) |
|||
|
h |
Plla |
Plla (7) |
Pll 2/a (13) |
|||
|
h |
l |
Pll 21/a |
Pll 21/a(14) |
|||
|
k |
P11b |
Pllb(7) |
Pll 2/6 (13) |
|||
|
k |
l |
Pll 21/b |
Pll 2/b (14) |
|||
|
h + k |
P11n |
P1 1n (7) |
Pll 2/n (13) |
|||
|
h + k |
l |
Pll 21/n |
Pll 21/n(14) |
|||
|
h + l |
h |
l |
Bll‐ |
B112(5) |
B11m (8) |
B11 2/m (12) |
|
h + l |
h,k |
l |
Blln |
Blln(9) |
Bll 2/n (15) |
|
|
k + l |
k |
l |
All− |
A112(5) |
A 11m (8) |
All 2/m (12) |
|
k + l |
h,k |
l |
Alla |
Al1a (9) |
All 2/a (15) |
|
|
h + k + l |
h + k |
l |
I11− |
I112(5) |
I11m, (8) |
I11 2/m (12) |
|
h + k + l |
h,k |
l |
I11b |
I11b(9) |
I11 2/b(15) |
|
|
Unique axis a |
Laue class 2/m 1 1 |
|||||
|---|---|---|---|---|---|---|
|
Reflection conditions |
Point group |
|||||
|
hklh0l hk0 |
0kl0k0 00l |
h00 |
Extinction symbol |
2 |
m |
2/m |
|
P−ll |
P211 (3) |
Pm 11 (6) |
P2/mll (10) |
|||
|
h |
P21,ll |
P21,ll (4) |
P21/m 11 (11) |
|||
|
k |
Pb11 |
Pb11 (7) |
P2/b11 (13) |
|||
|
k |
h |
P21/b 11 |
P21/b 11 (14) |
|||
|
l |
Pcll |
Pcll(7) |
P2/c 11 (13) |
|||
|
l |
h |
P21/c 11 |
P21/c 11 (14) |
|||
|
k + l |
Pnll |
Pnll (7) |
P2/nll (13) |
|||
|
k + l |
h |
P21/n 11 |
P21/n 11 (14) |
|||
|
h + k |
k |
h |
C−ll |
C211 (5) |
Cm 11 (8) |
C2/mll (12) |
|
h + k |
k,l |
h |
Cnll |
Cnll (9) |
C2/n 11 (15) |
|
|
h + l |
l |
h |
B−ll |
B211 (5) |
Bmll (8) |
B2/m 11 (12) |
|
h + l |
k,l |
h |
Bb1 |
Bb11 (9) |
B2/b11 (15) |
|
|
h + k + l |
k + l |
h |
I−11 |
I211(5) |
Im 11 (8) |
I2/m 11 (12) |
|
h + k + l |
k,l |
h |
Icll |
Ic 11 (9) |
I2/c 11 (15) |
|
ORTHORHOMBIC, Laue class mmm (2/m 2/m 2/m)
In this table, the symbol e in the space‐group symbol represents the two glide planes given between parentheses in the corresponding extinction symbol. Only for one of the two cases does a bold printed symbol correspond with the standard symbol.
|
Reflection conditions |
Laue class mmm (2/m 2/m 2/m) |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
|
Point group |
||||||||||
|
hkl |
0kl |
h0l |
hk0 |
h00 |
0k0 |
00l |
Extinction symbol |
222 |
mm2 m2m 2mm |
mmm |
|
P−−− |
P 222 (16) |
Pmm 2 (25) |
Pmmm (47) |
|||||||
|
Pm2m (25) |
||||||||||
|
P2mm (25) |
||||||||||
|
l |
P−−21, |
P 222 1 (17) |
||||||||
|
k |
P−21− |
P2212(17) |
||||||||
|
k |
l |
P−2121 |
P22121 (18) |
|||||||
|
h |
P21−− |
P21,22(17) |
||||||||
|
h |
l |
P21−21, |
P21,221, (18) |
|||||||
|
h |
k |
P2121− |
P 2 1 2 1 2 (18) |
|||||||
|
h |
k |
l |
P212121 |
P 2 1 2 1 2 1(19) |
||||||
|
h |
h |
P−−a |
Pm2a (28) |
|||||||
|
P21,ma (26) |
Pmma (51) |
|||||||||
|
k |
k |
P−−b |
Pm21 b (26) |
|||||||
|
P2mb (28) |
Pmmb (51) |
|||||||||
|
h + k |
h |
k |
P−−n |
Pm21 n(31) |
||||||
|
P21 mn(31) |
Pmmn (59) |
|||||||||
|
h |
h |
P−a− |
Pma 2 (28) |
Pmam (51) |
||||||
|
P21 am (26) |
||||||||||
|
h |
h |
h |
P−aa |
P2aa (27) |
Pmaa (49) |
|||||
|
h |
k |
h |
k |
P−ab |
P21 ab (29) |
Pmab (57) |
||||
|
h |
h + k |
h |
k |
P−an |
P2an (30) |
Pman (53) |
||||
|
l |
l |
P−c− |
Pmc 2 1 (26) |
|||||||
|
P2cm (28) |
Pmcm (51) |
|||||||||
|
l |
h |
h |
l |
P−ca |
P21 ca(29) |
Pmca (57) |
||||
|
l |
k |
k |
l |
P−cb |
P2cb (32) |
Pmcb (55) |
||||
|
l |
h + k |
h |
k |
l |
P−cn |
P2l Cn(33) |
Pmcn (62) |
|||
|
h + l |
h |
l |
P−n− |
Pmn 2 1 (31) |
||||||
|
p21 (31) |
Pmnm (59) |
|||||||||
|
h + l |
h |
h |
l |
P−na |
P2na (30) |
Pmna (53) |
||||
|
h + l |
k |
h |
k |
l |
P−nb |
P21 nb(33) |
Pmnb (62) |
|||
|
h +l |
h + k |
h |
k |
l |
P−nn |
P2nn (34) |
Pmnn (58) |
|||
|
k |
k |
Pb−− |
Pbm2 (28) |
|||||||
|
Pb21 m (26) |
Pbmm (51) |
|||||||||
|
k |
h |
h |
k |
Pb−a |
Pb21 a (29) |
Pbma (57) |
||||
|
k |
k |
k |
Pb−b |
Pb2b (27) |
Pbmb (49) |
|||||
|
k |
h + k |
h |
k |
Pb−n |
Pb2n (30) |
Pbmn (53) |
||||
|
k |
h |
h |
k |
Pba− |
Pba 2 (32) |
Pbam (55) |
||||
|
k |
h |
h |
h |
k |
Pbaa |
Pbaa (54) |
||||
|
k |
h |
k |
h |
k |
Pbab |
Pbab (54) |
||||
|
k |
h |
h + k |
h |
k |
Pban |
Pban (50) |
||||
|
k |
l |
k |
Pbc− |
Pbc21 (29) |
Pbcm (57) |
|||||
|
k |
l |
h |
h |
k |
Pbca |
Pbca (61) |
||||
|
k |
l |
k |
k |
Pbcb |
Pbcb (54) |
|||||
|
k |
l |
h +k |
h |
k |
Pbcn |
Pbcn (60) |
||||
|
k |
h + l |
h |
k |
Pbn− |
Pbn21 (33) |
Pbnm (62) |
||||
|
k |
h + l |
h |
h |
k |
Pbna |
Pbna (60) |
||||
|
k |
h + l |
k |
h |
k |
Pbnb |
Pbnb (56) |
||||
|
k |
h + l |
h +k |
h |
k |
Plmn |
Pbnn (52) |
||||
|
l |
Pc−− |
Pcm21 (26) |
||||||||
|
Pc2m (28) |
Pcmm (51) |
|||||||||
|
h |
h |
Pc−a |
Pc2a (32) |
Pcma (55) |
||||||
|
k |
k |
Pc−b |
Pc21 b (29) |
Pcmb (57) |
||||||
|
h + k |
h |
k |
Pc−n |
Pc21 n (33) |
Pcmn (62) |
|||||
|
h |
h |
Pca− |
Pca 2 1 (29) |
Pcam (57) |
||||||
|
h |
h |
h |
Pcaa |
Pcaa (54) |
||||||
|
h |
k |
h |
k |
Pcab |
Pcab (61) |
|||||
|
h |
h + k |
h |
k |
Pcan |
Pcan (60) |
|||||
|
l |
Pcc− |
Pcc 2 (27) |
Pccm (49) |
|||||||
|
l |
h |
h |
Pcca |
Pcca (54) |
||||||
|
l |
k |
k |
Pccb |
Pccb (54) |
||||||
|
l |
h + k |
h |
k |
Pccn |
Pccn (56) |
|||||
|
h + l |
h |
Pcn − |
Pcn2 (30) |
Pcnm (53) |
||||||
|
h + l |
h |
h |
Pcna |
Pcna (50) |
||||||
|
h + l |
k |
h |
k |
Pcnb |
Pcnb (60) |
|||||
|
h +l |
h + k |
h |
k |
Pcnn |
Pcnn (52) |
|||||
|
k + l |
k |
Pn−− |
Pnm21 (31) |
Pnmm (59) |
||||||
|
pn21m(31) |
||||||||||
|
k + l |
h |
h |
k |
l |
Pn−a |
Pn21 a (33) |
Pnma (62) |
|||
|
k + l |
k |
k |
Pn−b |
Pn2b (30) |
Pnmb (53) |
|||||
|
k + l |
h + k |
h |
k |
Pn−n |
Pn2n (34) |
Pnmn (58) |
||||
|
k + l |
h |
h |
k |
Pna− |
Pna 21 (33) |
Pnam (62) |
||||
|
k + l |
h |
h |
h |
k |
Pnaa |
Pnaa (56) |
||||
|
k + l |
h |
k |
h |
k |
Pnab |
Pnab (60) |
||||
|
k + l |
h |
h + k |
h |
k |
Pnan |
Pnan (52) |
||||
|
k + l |
l |
k |
Pnc− |
Pnc 2 (30) |
Pncm (53) |
|||||
|
k + l |
l |
h |
h |
k |
Pnca |
Pnca (60) |
||||
|
k + l |
l |
k |
k |
Pncb |
Pncb (50) |
|||||
|
k + l |
l |
h + k |
h |
k |
Pncn |
Pncn (52) |
||||
|
k + l |
h + l |
h |
k |
Pnn − |
Pnn 2 (34) |
Pnnm (58) |
||||
|
k + l |
h + l |
h |
h |
k |
Pnna |
Pnna (52) |
||||
|
k + l |
h + l |
k |
h |
k |
Pnnb |
Pnnb (52) |
||||
|
k + l |
h + l |
h + k |
h |
k |
Pnnn |
Pnnn (48) |
||||
|
h + k |
k |
h |
h + k |
h |
k |
C−−− |
C 222(21) |
Cmm 2 (35) |
Cmmm (65) |
|
|
Cm2m (38) |
||||||||||
|
C2mm (38) |
||||||||||
|
h − k |
k |
h |
h + k |
h |
k |
C−−21, |
C 222 1 (20) |
|||
|
h + k |
k |
h |
h,k |
h |
k |
C−−(ab) |
Cm2e (39) |
Cmme (67) |
||
|
C2me (39) |
||||||||||
|
h + k |
k |
h,l |
h + k |
h |
k |
C−c− |
Cmc 21 (36) |
Cmcm (63) |
||
|
C2cm (40) |
||||||||||
|
h + k |
k |
h,l |
hk |
h |
k |
C−c(ab) |
C2ce (41) |
Cmce (64) |
||
|
h + k |
k,l |
h |
h + k |
h |
k |
Cc−− |
Ccm21, (36) |
Ccmm (63) |
||
|
Cc2m (40) |
||||||||||
|
h + k |
k,l |
h |
hk |
h |
k |
Cc −(ab) |
Cc2e (41) |
Ccme (64) |
||
|
h + k |
k,l |
h,l |
h + k |
h |
k |
Ccc− |
Ccc 2 (37) |
Cccm (66) |
||
|
h + k |
k,l |
h,l |
h,k |
h |
k |
Ccc(ab) |
Ccce (68) |
|||
|
h + l |
l |
h +l |
h |
h |
l |
B−−− |
B222 (21) |
Bmm2 (38) |
Bmmm (65) |
|
|
Bm2m (35) |
||||||||||
|
B2mm (38) |
||||||||||
|
h + l |
l |
h + l |
h |
h |
k |
B−21− |
B2212(20) |
|||
|
h + l |
l |
h +l |
hk |
h |
k |
B−−b |
Bm21 b (36) |
Bmmb (63) |
||
|
B2mb (40) |
||||||||||
|
h + l |
l |
h,l |
h |
h |
l |
B −(ac)− |
Bme2 (39) |
Bmem (67) |
||
|
B2em (39) |
||||||||||
|
h + l |
l |
h,l |
h,k |
h |
k |
B−(ac)b |
B2eb (41) |
Bmeb (64) |
||
|
h +l |
k,l |
h + l |
h |
h |
k |
Bb−− |
Bbm2 (40) |
Bbmm (63) |
||
|
Bb21 m (36) |
||||||||||
|
h + l |
k,l |
h +l |
h,k |
h |
k |
Bb−b |
Bb2b (37) |
Bbmb (66) |
||
|
h + l |
k,l |
h,l |
h |
h |
k |
Bb(ac)− |
Bbe2 (41) |
Bbem (64) |
||
|
h + l |
k,l |
h,l |
h,k |
h |
k |
Bb(ac)b |
Bbeb (68) |
|||
|
k + l |
k + l |
l |
k |
k |
l |
A−−− |
A222 (21) |
Amm 2 (38) |
Ammm (65) |
|
|
Am2m (38) |
||||||||||
|
A2mm (35) |
||||||||||
|
k + l |
k + l |
l |
k |
h |
k |
l |
A21−−− |
A2122(20) |
||
|
k + l |
k + l |
l |
h k |
h |
k |
A−−a |
Am 2 a (40) |
Amma (63) |
||
|
A21 ma (36) |
||||||||||
|
k + l |
k + l |
h,l |
k |
h |
k |
A−a− |
Ama 2 (40) |
Amam (63) |
||
|
A21 am (36) |
||||||||||
|
k + l |
k + l |
h,l |
h.k |
h |
k |
A−aa |
A2aa (37) |
Amaa (66) |
||
|
k + l |
k,l |
l |
k |
k |
A(bc)−− |
Aem 2 (39) |
Aemm (67) |
|||
|
Ae2m (39) |
||||||||||
|
k + l |
k,l |
l |
h,k |
h |
k |
A(bc)−a |
Ae2a (41) |
Aema (64) |
||
|
k + l |
k,l |
h,i |
k |
h |
k |
A(bc)a− |
Aea 2(41) |
Aeam (64) |
||
|
k + l |
k,l |
h,i |
h,k |
h |
k |
A(bc)aa |
Aeaa (68) |
|||
|
h + k + l |
k + l |
h + l |
h + k |
h |
k |
I−−− |
Imm 2 (44) Im2m (44) |
Immm (71) |
||
|
h+k+l |
k + l |
h +l |
h,k |
h |
k |
l |
l−−(ab) |
Im2a (46) |
Imma (74) |
|
|
I2mb (46) |
Immb (74) |
|||||||||
|
h + k + l |
k + l |
h,l |
h + k |
h |
k |
l |
I−(ac)− |
Ima 2(46) |
Imam (74) |
|
|
I2cm (46) |
lmcm (74) |
|||||||||
|
h + k +l |
k + l |
h,l |
h,k |
h |
k |
l |
I−cb |
I2cb (45) |
Imcb (72) |
|
|
h + h +l |
k,l |
h + l |
h + k |
h |
k |
l |
I(bc)−− |
Item2 (46) |
Iemm (74) |
|
|
Ie2m (46) |
||||||||||
|
h + k +l |
k,l |
h + l |
h,k |
h |
k |
l |
Ic−a |
Ic2a (45) |
Icma (72) |
|
|
h + k +l |
k,l |
h,l |
h + k |
h |
k |
l |
Iba− |
Iba 2(45) |
Ibam (72) |
|
|
h + k + l |
k,l |
h,l |
h,k |
h |
k |
l |
Ibca |
Ibca (73) |
||
|
Icab (73) |
||||||||||
|
h + k,h + l,k + l |
k,l |
h,l |
h,k |
h |
k |
l |
F−−− |
F 222(22) |
Fmm 2(42) |
Fmmm (69) |
|
Fm2m (42) |
||||||||||
|
F2mm (42) |
||||||||||
|
h + k,h + l,k + l |
k,l |
h + l =4n; h, l |
h + k = 4n;h,k |
h = 4n |
k = 4n |
l = 4n |
F−dd |
F2dd(43) |
||
|
h +k,h + l,k + l |
k + l =4n;k, l |
h,l |
h + k = 4n;h,k |
h = 4n |
k = 4n |
l = 4n |
Fd−d |
Fd2d(43) |
||
|
h + k,h + l,k + l |
k + l =4n; k, l |
h + l = 4n;h,l |
h,k |
h = 4n |
k = 4n |
l = 4n |
Fdd− |
Fdd 2(43) |
||
|
h + k,h + l,k + l |
k + l =4n;k, l |
h +l = 4n;h,l |
h + k = 4n;h,k |
h = 4n |
k = 4n |
l = 4n |
Fddd |
Fddd (70) |
||
(*) Pair of space groups with common point group and symmetry elements hut differing in the relative location of these elements.
TETRAGONAL, Laue classes 4/m and 4/mmm
|
Laue class |
||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
|
4/m |
4/mmm (4/m 2/m 2/m) |
|||||||||||||
|
Reflection conditions |
Point group |
|||||||||||||
|
hkl |
hk0 |
0kl |
hhl |
00l |
0k0 |
hh0 |
Extinction symbol |
4 |
4 |
4/m |
422 |
4mm |
4̄2m 4̄m2 |
4/mmm |
|
P−−− |
P4 (75) |
P4̄(81) |
P4/m (83) |
P422 (89) |
P4mm (99) |
P4̄2m(lll) |
P4/mmm (123) |
|||||||
|
P4̄m2(115) |
||||||||||||||
|
k |
P−21− |
P4212(90) |
P4̄21 m(113) |
|||||||||||
|
l |
P42−− |
P42 (77) |
P42/m (84) |
P4222 (93) |
||||||||||
|
l |
k |
p4221− |
P42212 (94) |
|||||||||||
|
l = 4n |
P41−− |
|||||||||||||
|
l = 4n |
k |
P41,21− |
||||||||||||
|
l |
l |
P−−C |
P42 mc (105) |
P4̄2c(112) |
P42/mmc (131) |
|||||||||
|
l |
l |
k |
P−21 c |
P4̄21 c(114) |
||||||||||
|
k |
k |
P−b− |
P4bm (100) |
P4̄b2(117) |
P4/mbm (127) |
|||||||||
|
k |
l |
l |
k |
P−bc |
P42 bc (106) |
P42/mbc (135) |
||||||||
|
l |
l |
P−c− |
P42 cm (101) |
P4̄c2(116) |
P42/mcm (132) |
|||||||||
|
l |
l |
l |
P −cc |
P4cc (103) |
P4/mcc (124) |
|||||||||
|
k + l |
l |
k |
P−n− |
P42 nm (102) |
P4̄n2(118) |
P42/mnm (136) |
||||||||
|
k +l |
l |
l |
k |
P−nc |
P4nc (104) |
P4/mnc (128) |
||||||||
|
h + k |
k |
Pn−− |
P4/n (85) |
P4/nmm (129) |
||||||||||
|
h + k |
l |
k |
P42/n− − |
P42/n (86) |
||||||||||
|
h + k |
l |
l |
k |
Pn −c |
P42/nmc (137) |
|||||||||
|
h+k |
k |
k |
Pnb− |
P4/nbm(125) |
||||||||||
|
h+k |
k |
l |
l |
k |
Pubc |
P42/nbc (133) |
||||||||
|
h+k |
l |
l |
k |
Pnc− |
P42/ncm (138) |
|||||||||
|
h+k |
l |
l |
l |
k |
Pncc |
P4/ncc (130) |
||||||||
|
h+k |
k + l |
l |
k |
Pnn− |
P42/nnm (134) |
|||||||||
|
h+k |
k + l |
l |
l |
k |
Pnnc |
P4/nnc (126) |
||||||||
|
h + k + l |
h+k |
k + l |
l |
l |
k |
l−−− |
l4 (79) |
l4̄ (82) |
l4/m (87) |
l422 (97) |
l4mm (107) |
l4̄2m (121) |
l4/mmm (139) |
|
|
l4̄m2(119) |
||||||||||||||
|
h + k + l |
h+k |
k + l |
l |
l= 4n |
k |
l41−− |
l41 (80) |
l4122(98) |
||||||
|
h + k +l |
h+k |
k + l |
l = 4n |
k |
h |
l−−d |
l41 md (109) |
l4̄2d (122) |
||||||
|
h +k +l |
h+k |
k,l |
l |
l |
k |
l−c− |
l4cm (108) |
l4̄c2 (120) |
l4/mcm(140) |
|||||
|
h +k +l |
h+k |
k,l |
l = 4n |
k |
h |
l−cd |
l41 cd(110) |
|||||||
|
h + k + l |
h,k |
k + l |
l |
l = 4n |
k |
141/a−− |
l41/a (88) |
|||||||
|
h +k + l |
h,k |
k + l |
l = 4n |
k |
h |
la−d |
141/amd (141) |
|||||||
|
h + k + l |
h,k |
k,l |
l = 4n |
k |
h |
lacd |
l41/acd(142) |
|||||||
(†) Pair of enantioinorphic space groups, cf. Section 3.1.5.
(‡) Condition: 2h +l = 4n; l.
TRIGONAL, Laue classes 3̄ and 3̄m
|
Lane class |
||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
|
Reflection conditions |
3̄ |
3̄ml (3̄ 2/m 1) 3̄m |
3̄1m (3̄ 1 2/m) |
|||||||||
|
Hexagonal axes |
Point.group |
|||||||||||
|
hkil |
hh̄0l |
h,h,2̄h̄,1 |
000l |
Extinction symbol |
3 |
3̄ |
321 32 |
3ml 3m |
3̄ml 3̄m |
312 |
31m |
31m |
|
P−−− |
P3 (143) |
P3̄ (147) |
P3̄21 (150) |
P3ml (156) |
P3̄ml (164) |
P312 (149) |
P31m (157) |
P3̄m (162) |
||||
|
l = 3n |
P31−− |
|||||||||||
|
l |
l |
P−−C |
P31c (159) |
P3̄c (163) |
||||||||
|
l |
l |
P−c− |
P3cl(158) |
P3̄cl (165) |
||||||||
|
−h+k + l = 3n |
h + l = 3n |
l = 3n |
l = 3n |
R(obv)− − |
R3 (146) |
R3̄ (148) |
R32 (155) |
R3m (160) |
R3̄m (166) |
|||
|
−h+k + l = 3n |
h + l = 3n; l |
l = 3n |
l = 6i |
R(obv)− c |
R3c(161) |
R3̄c (167) |
||||||
|
h − k + l = 3n |
−h + l = 3n |
l = 3n |
l = 3n |
R(rev)− − |
R3 (146) |
R3̄ (148) |
R32 (155) |
R3m (160) |
R3̄m (166) |
|||
|
h−k + l = 3n |
−h + l = 3n; l |
l = 3n |
l = 6n |
R(rev)− c |
R3c(161) |
R3̄c (167) |
||||||
|
Rhombohedral axes |
Point group |
|||||||||||
|
hkl |
hhl |
hhh |
Extinction symbol |
3 |
3̄ |
32 |
3m |
3̄m |
||||
|
R −− |
R3(146) |
R3̄ (148) |
R32 (155) |
R3m (160) |
R3m (166) |
|||||||
|
l |
h |
R−c |
R3c (161) |
R3̄c(167) |
||||||||
§ Pair of enantioinorphic space groups: cf. Section 3.1.5.
¶ For obverse and reverse sellings cf Seclion 1.2.1. The obverse selling is slandard in these tables.
The transformation reverse → obverse is given by a(obv.) = −a(rev.), b(obv.) = −b(rev.), c(obv.) = c(rev.).
HEXAGONAL, Laue classes 6/m and 6/mmm
|
Laue class |
||||||||||
|---|---|---|---|---|---|---|---|---|---|---|
|
6/m |
6/mmm(6/m 2/m 2/m) |
|||||||||
|
Reflection conditions |
Point group |
|||||||||
|
hh̄0l |
hh2̄h̄l |
000l |
Extinction symbol |
6 |
6̄ |
6/m |
622 |
6mm |
6̄2m 6̄m2 |
6/mmm |
|
P−−− |
P6 (168) |
P6̄ (174) |
P6/m (175) |
P622 (177) |
P6mm(183) |
P6̄2m (189) |
P6/mmm(191) |
|||
|
P6̄m2 (187) |
||||||||||
|
l |
P63− − |
P63 (173) |
P63/m(176) |
P6322 (182) |
||||||
|
l = 3n |
P62−− |
|||||||||
|
l = 6n |
P61−− |
|||||||||
|
l |
l |
P−−c |
P63 mc(186) |
P6̄2c(190) |
P63/mmc(194) |
|||||
|
l |
1 |
P−c− |
P63 cm(185) |
P6̄c2 (188) |
P63/mcm(193) |
|||||
|
l |
l |
1 |
P− cc |
P6cc(184) |
P6/mcc(192) |
|||||
**Pair of enantiomorphic space groups, cf. Section 3.1.5
CUBIC, Laue classes m3̄ and m3̄m
|
Laue class |
|||||||||
|---|---|---|---|---|---|---|---|---|---|
|
Reflection conditions (Indices are permutable, apart from space group No. 205) †† |
m3̄ (2/m 3̄) |
m3̄m (4/m 3̄ 2/m) |
|||||||
|
Point group |
|||||||||
|
hkl |
0kl |
hhl |
00l |
Extinction symbol |
23 |
m3̄ |
432 |
4̄3m |
m3̄m |
|
P −−− |
P23 (195) |
Pm3̄ (200) |
P432 (207) |
P4̄3m (215) |
Pm3̄m (221) |
||||
|
l |
P213(198) |
P4232 (208) |
|||||||
|
l = 4n |
P41−− |
||||||||
|
l |
l |
P−−n |
P4̄3n (218) |
Pm3̄n (223) |
|||||
|
k †† |
l |
Pa−− |
Pa3̄ (205) |
||||||
|
k+l |
l |
Pn−− |
Pn3̄ (201) |
Pn3̄m (224) |
|||||
|
k + i |
l |
l |
Pn−n |
Pn3̄n (222) |
|||||
|
h + k + l |
k + l |
l |
l |
I−−− |
Im3̄ (204) |
I432(211) |
I4̄3m (217) |
Im3̄m (229) |
|
|
h + k + l |
k+l |
I |
l = 4n |
141−− |
I4132 (214) |
||||
|
h + k + l |
k+l |
2h + l = 4n,l |
l = 4n |
I−−d |
l4̄3d (220) |
||||
|
h + k + l |
k,l |
l |
l |
Ia−− |
la3̄ (206) |
||||
|
h + k + l |
k,i |
2h + l = 4n,l |
l = 4n |
Ia−d |
Ia3̄d (230) |
||||
|
h + k,h + l,k + l |
k,i |
h + l |
l |
F−−− |
F23 (196) |
Fm3̄ (202) |
F432 (209) |
F4̄3m (216) |
Fm3̄m (225) |
|
h + k,h + l,k + l |
k,i |
h + l |
l = 4n |
F41−− |
F4132(210) |
||||
|
h + k,h + l,k + l |
k,i |
h,l |
l |
F−−c |
F4̄3c (219) |
Fm3̄c (226) |
|||
|
h + k,h + l,k + l |
k +l = 4n,k,l |
h + l |
l = 4n |
Fd−− |
Fd3̄ (203) |
Fd3̄m (227) |
|||
|
h + k,h + l,k + l |
k + l = 4n,k,l |
h,l |
l = 4n |
Fd−c |
Fd3̄c (228) |
||||
(††) For No. 205, only cyclic permutations are permitted. Conditions are 0kl: k = 2n; h0l: l = 2n; hk0: h = 2n.
(‡‡) Pair of enantiomorphic space groups, cf. Section 3.1.5.
(§§) Pair of space groups with common point group and symmetry elements but differing in the relative location of these elements.