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Space group determination: Difference between revisions
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→Table of space groups by Laue class and Bravais type: specify transformations according to CCP4 reindexing documentation; plus obverse/reverse
(→Table of space groups by Laue class and Bravais type: specify transformations according to CCP4 reindexing documentation; plus obverse/reverse) |
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| mmm || oI || 23 || 24 |||| screw axis extinctions do '''not''' let you decide because the I centering results in h+k+l=2n and the screw axis extinction 00l=2n is just a special case of that. 23/24 do '''not''' form an enantiomorphic, but a ''special'' pair (ITC A §3.5, p. 46 in the 1995 edition). | | mmm || oI || 23 || 24 |||| screw axis extinctions do '''not''' let you decide because the I centering results in h+k+l=2n and the screw axis extinction 00l=2n is just a special case of that. 23/24 do '''not''' form an enantiomorphic, but a ''special'' pair (ITC A §3.5, p. 46 in the 1995 edition). | ||
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| 4/m || tP || 75 || 76, 77, 78 || | | 4/m || tP || 75 || 76, 77, 78 ||k,h,-l|| screw axis extinctions let you decide, except between 76/78 enantiomorphs | ||
|- | |- | ||
| 4/m || tI || 79 || 80 || | | 4/m || tI || 79 || 80 ||k,h,-l|| screw axis extinctions let you decide | ||
|- | |- | ||
| 4/mmm || tP || 89 || 90, 91, 92, 93, 94, 95, 96 |||| screw axis extinctions let you decide, except between 91/95 and 92/96 enantiomorphs | | 4/mmm || tP || 89 || 90, 91, 92, 93, 94, 95, 96 |||| screw axis extinctions let you decide, except between 91/95 and 92/96 enantiomorphs | ||
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| 4/mmm || tI || 97 || 98 |||| screw axis extinctions let you decide | | 4/mmm || tI || 97 || 98 |||| screw axis extinctions let you decide | ||
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| -3 || hP || 143 || 144, 145 || | | -3 || hP || 143 || 144, 145 ||-h,-k,l; k,h,-l; -k,-h,-l|| screw axis extinctions let you decide, except between 144/145 enantiomorphs | ||
|- | |- | ||
| -3 || hR || 146 || - || | | -3 || hR || 146 || - ||k,h,-l, and obverse (-h+k+l=3n) / reverse (h-k+l=3n)|| | ||
|- | |- | ||
| -3/m || hP || 149 || 151, 153 || | | -3/m || hP || 149 || 151, 153 ||k,h,-l|| screw axis extinctions let you decide, except between 151/153 enantiomorphs. Note: the twofold goes along the diagonal between a and b. | ||
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| -3/m || hP || 150 || 152, 154 || | | -3/m || hP || 150 || 152, 154 ||-h,-k,l|| screw axis extinctions let you decide, except between 152/154 enantiomorphs. Note: compared to previous line, the twofold goes along a. | ||
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| -3/m || hR || 155 || - ||obverse/reverse|| | | -3/m || hR || 155 || - ||obverse/reverse|| | ||
|- | |- | ||
| 6/m || hP || 168 || 169, 170, 171, 172, 173 || | | 6/m || hP || 168 || 169, 170, 171, 172, 173 ||k,h,-l|| screw axis extinctions let you decide, except between 169/170 and 171/172 enantiomorphs | ||
|- | |- | ||
| 6/mmm || hP || 177 || 178, 179, 180, 181, 182 |||| screw axis extinctions let you decide, except between 178/179 and 180/181 enantiomorphs | | 6/mmm || hP || 177 || 178, 179, 180, 181, 182 |||| screw axis extinctions let you decide, except between 178/179 and 180/181 enantiomorphs | ||
|- | |- | ||
| m-3 || cP || 195 || 198 || | | m-3 || cP || 195 || 198 ||k,h,-l|| screw axis extinctions let you decide | ||
|- | |- | ||
| m-3 || cF || 196 ||-|| | | m-3 || cF || 196 ||-||k,h,-l|| | ||
|- | |- | ||
| m-3 || cI || 197 || 199 || | | m-3 || cI || 197 || 199 ||k,h,-l|| screw axis extinctions do '''not''' let you decide because the I centering results in h+k+l=2n and the screw axis extinction 00l=2n is just a special case of that. 197/199 do '''not''' form an enantiomorphic, but a ''special'' pair (ITC A §3.5, p. 46 in the 1995 edition). | ||
|- | |- | ||
| m-3m || cP || 207 || 208, 212, 213 |||| screw axis extinctions let you decide, except between 212/213 enantiomorphs | | m-3m || cP || 207 || 208, 212, 213 |||| screw axis extinctions let you decide, except between 212/213 enantiomorphs | ||