Minor quasi-symmetry (P-symmetry) crystallographic point groups as semi-direct products

1982 ◽  
Vol 15 (4) ◽  
pp. 1131-1135 ◽  
Author(s):  
K Rama Mohana Rao
Keyword(s):  
Author(s):  
Gregory S. Chirikjian ◽  
Kushan Ratnayake ◽  
Sajdeh Sajjadi

AbstractPoint groups consist of rotations, reflections, and roto-reflections and are foundational in crystallography. Symmorphic space groups are those that can be decomposed as a semi-direct product of pure translations and pure point subgroups. In contrast, Bieberbach groups consist of pure translations, screws, and glides. These “torsion-free” space groups are rarely mentioned as being a special class outside of the mathematics literature. Every space group can be thought of as lying along a spectrum with the symmorphic case at one extreme and Bieberbach space groups at the other. The remaining nonsymmorphic space groups lie somewhere in between. Many of these can be decomposed into semi-direct products of Bieberbach subgroups and point transformations. In particular, we show that those 3D Sohncke space groups most populated by macromolecular crystals obey such decompositions. We tabulate these decompositions for those Sohncke groups that admit such decompositions. This has implications to the study of packing arrangements in macromolecular crystals. We also observe that every Sohncke group can be written as a product of Bieberbach and symmorphic subgroups, and this has implications for new nomenclature for space groups.


1978 ◽  
Vol 34 (6) ◽  
pp. 895-900
Author(s):  
J. Sivardière

Let G be a finite group, H an invariant subgroup and F the corresponding factor group. The classes of conjugated elements of G are derived from the classes of H and F. We consider simple point groups and symmorphic space groups, which are semi-direct products H^F, then double point groups and non- symmorphic space groups, which are extensions of F by H.


This paper aims at providing a systematic treatment of the crystallographic point groups. Some well-known properties of them, in terms of the theory of the poles of finite rotations, are first discussed, so as to provide a simple way for recognizing their invariant subgroups. A definition of the semi-direct product is then given, and it is shown that all crystallographic point groups can be expressed as a semi-direct product of one of their invariant subgroups by a cyclic subgroup. Many useful relations between point groups can be obtained by exploiting the properties of the triple and mixed triple semi-direct products, which are defined. Much of the rest of the paper is devoted to the theory of the representations of semi-direct products. The treatment here parallels that given by Seitz (1936) for the reduction of space groups in terms of the representations of its invariant subgroups (the translation groups). The latter, however, are always Abelian and this is not always the case for point groups. The full treatment of the general case, such as given by McIntosh (1958), is laborious and it is shown that, if the emphasis is placed on the bases of the representations, rather than the representations themselves, it is possible to achieve the reduction of the point groups by a method hardly more involved than that required when the invariant subgroup is Abelian. It is also shown that, just as for space groups, the representations of the invariant subgroups can be denoted and visualized by means of a vector, which allows a very rapid classification of the representations, very much as the k vector as used by Bouckaert, Smoluchowski & Wigner (1936) allows the formalism of the Seitz method for space groups to be carried out in a graphical fashion. One of the major consequences of this work is that it affords a substantial simplification in the use of the symmetrizing and projection operators that are required to obtain symmetry-adapted functions: a very systematic alternative to the method given by Melvin (1956) is therefore provided. In the last section of the paper all the techniques discussed are applied in detail, as an example, to the cubic groups. The projection operators are used to obtain symmetry-adapted spherical harmonics for these groups. The paper might be found useful as an introduction to the methods for the reduction of space groups.


1981 ◽  
Vol 14 (5) ◽  
pp. 1055-1063 ◽  
Author(s):  
M Damnjanovic ◽  
M Vujicic
Keyword(s):  

1989 ◽  
Vol 44 (10) ◽  
pp. 1221-1227 ◽  
Author(s):  
W. Preetz ◽  
W. Kuhr

The mixed chloro-bromo-rhodates(III) [RhClnBr6-n]3-, n = 1-5, have been separated for the first time by ion exchange chromatography on diethylaminoethyl-cellulose. Due to the stronger trans-effect of Br, as compared with Cl, on treatment of [RhBr6]3- with conc. HCl nearly pure cis/fac-isomers for n = 2, 3, 4 are formed. The reaction of [RhCl6]3- with conc. HBr yields mixtures of the cis/trans-isomers for n = 2, 4, which cannot be separated, but mer-[RhCl3Br3]3 is formed stereospecifically. The IR and Raman spectra of all isolated mixed ligand complexes are completely assigned according to point groups Oh, D3d, C4v, C3v and C2v, supported by normal coordinate analyses based on a general valence force field. The good agreement of calculated and observed frequencies confirms the assignments. Due to the stronger trans-influence of Br as compared to Cl, in all asymmetric Cl—Rh—Br axes the Rh—Br bonds are strengthened and the Rh—Cl bonds are weakened, indicated by valence force constants for Rh—Br approximately 14% higher, for Rh—Cl 10% lower, as compared with the values calculated for symmetric Br—Rh—Br and Cl—Rh—Cl axes, respectively.


1977 ◽  
Vol 18 (11) ◽  
pp. 2166-2171 ◽  
Author(s):  
K. Kraus ◽  
L. Polley ◽  
G. Reents

2006 ◽  
Vol 86 (6) ◽  
pp. 481-489 ◽  
Author(s):  
J. N. S. Bidwell ◽  
M. J. Curran ◽  
D. J. McCaughan

2015 ◽  
Vol 92 (8) ◽  
pp. 1422-1425 ◽  
Author(s):  
Lan Chen ◽  
Hongwei Sun ◽  
Chengming Lai

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