at Google ScholarTitle data
van Smaalen, Sander ; Campbell, Branton J. ; Stokes, Harold T.:
Equivalence of superspace groups.
In: Acta Crystallographica Section A.
Vol. 69
(2013)
Issue 1
.
- pp. 75-90.
ISSN 1600-5724
DOI: https://doi.org/10.1107/S0108767312041657
Abstract in another language
An algorithm is presented which determines the equivalence of two settings of a (3 + \it d)-dimensional superspace group (\it d = 1, 2, 3). The algorithm has been implemented as a web tool \tt findssg on \tt SSG(3+d)D, providing the transformation of any user-given superspace group to the standard setting of this superspace group in \tt SSG(3+d)D. It is shown how the standard setting of a superspace group can be directly obtained by an appropriate transformation of the external-space lattice vectors (the basic structure unit cell) and a transformation of the internal-space lattice vectors (new modulation wavevectors are linear combinations of old modulation wavevectors plus a three-dimensional reciprocal-lattice vector). The need for non-standard settings in some cases and the desirability of employing standard settings of superspace groups in other cases are illustrated by an analysis of the symmetries of a series of compounds, comparing published and standard settings and the transformations between them. A compilation is provided of standard settings of compounds with two- and three-dimensional modulations. The problem of settings of superspace groups is discussed for incommensurate composite crystals and for chiral superspace groups.
Further data
| Item Type: | Article in a journal |
|---|---|
| Refereed: | Yes |
| Keywords: | symmetry; superspace groups; two-dimensionally modulated crystals; three-dimensionally modulated crystals. |
| Institutions of the University: | Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences > Chair Crystallography Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences Faculties Faculties > Faculty of Mathematics, Physics und Computer Science |
| Result of work at the UBT: | Yes |
| DDC Subjects: | 500 Science > 530 Physics |
| Date Deposited: | 12 Feb 2015 09:00 |
| Last Modified: | 20 Oct 2023 07:53 |
| URI: | https://eref.uni-bayreuth.de/id/eprint/6716 |