International
Tables for
Crystallography
Volume B
Reciprocal space
Edited by U. Shmueli

International Tables for Crystallography (2006). Vol. B. ch. 2.1, p. 192   | 1 | 2 |

Section 2.1.3.3. More than one symmetry element

U. Shmuelia* and A. J. C. Wilsonb

a School of Chemistry, Tel Aviv University, Tel Aviv 69 978, Israel, and bSt John's College, Cambridge, England
Correspondence e-mail:  ushmueli@post.tau.ac.il

2.1.3.3. More than one symmetry element

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Further alterations of the intensities occur if two or more such symmetry elements are present in the space group. The effects were treated in detail by Rogers (1950[link]), who used them to construct a table for the determination of space groups by supplementing the usual knowledge of Laue group with statistical information. Only two pairs of space groups, the orthorhombic [I222] and [I2_{1}2_{1}2_{1}], and their cubic supergroups [I23] and [I2_{1}3_{1}], remained unresolved. Examination of this table shows that what statistical information does is to resolve the Laue group into point groups; the further resolution into space groups is equivalent to the use of Table 3.1.4.1[link] in IT A (2005)[link]. The statistical consequences of each point group, as given by Rogers, are reproduced in Table 2.1.3.3[link].

Table 2.1.3.3| top | pdf |
Average multiples for the 32 point groups (modified from Rogers, 1950[link]).

The multiple gives [S/\Sigma] for the row and zone corresponding to the principal axis of the point-group symbol; those for the secondary and tertiary axes are given when the symbol contains such axes.

Point groupPrincipalSecondaryTertiary
RowZoneRowZoneRowZone
111    
[\bar{1}]11    
221    
m12    
[2/m]22    
222212121
mm2222241
mmm424242
441    
[\bar{4}]21    
[4/m]42    
422412121
4mm812222
[\bar{4}2m]412122
[4/mmm]824242
331    
[\bar{3}]31    
321312111
3m161122 
31m612221
661    
[\bar{6}]32    
[6/m]62    
622612121
6mm1212222
[\bar{6}m2]622241
[6/mmm]1224242
231213111
[m\bar{3}1]423111
432413121
[\bar{4}3m]416122
[m\bar{3}m]826242

Note. The pairs of point groups, 1 and [\bar{1}] and 3 and [\bar{3}], not distinguished by average multiples, may be distinguished by their centric and acentric probability density functions.
The entry for the principal zone for the point group 422 was given incorrectly as 2 in the first edition of this volume.

References

First citation International Tables for Crystallography (2005). Vol. A. Space-group symmetry, edited by Th. Hahn. Heidelberg: Springer.Google Scholar
First citation Rogers, D. (1950). The probability distribution of X-ray intensities. IV. New methods of determining crystal classes and space groups. Acta Cryst. 3, 455–464.Google Scholar








































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