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Tamazyan, Rafael ; van Smaalen, Sander:
Quantitative description of the tilt of distorted octahedra in \it ABX\sb 3 structures.
In: Acta Crystallographica Section B.
Bd. 63
(2007)
Heft 2
.
- S. 190-200.
ISSN 2052-5206
DOI: https://doi.org/10.1107/S010876810605244X
Abstract
A description of the tilt of octahedra in \it ABX\sb 3 perovskite-related structures is proposed that can be used to extract the unique values for the tilt parameters ǎrphi, θ and δ of \it ABX\sb 3 structures with regular and distorted octahedra up to the point symmetry \bar 1, from atomic coordinates and lattice parameters. The geometry of the \it BX\sb 6 octahedron is described by three \it B—-\it X bond lengths (\it r\sb 1, \it r\sb 2, \it r\sb 3) and three \it X—-\it B—-\it X bond angles (ψ\sb 12, ψ\sb 13 and ψ\sb 23) or alternatively by a local strain tensor together with an average \it B—-\it X bond length. Connections between the proposed method and Glazer's tilt system are discussed. The method is used to analyze structural transformations of \it I2/\it c, \it Pbnm and \it Immm structures. The proposed description allows the analysis of group—subgroup relations for the \it ABX\sb 3 structures with distorted octahedra, in terms of octahedral deformations and tilting. The method might also be of interest in the study of the phase transitions in the family of \it ABX\sb 3 structures.
Weitere Angaben
| Publikationsform: | Artikel in einer Zeitschrift |
|---|---|
| Begutachteter Beitrag: | Ja |
| Keywords: | tilting; distorted octahedra; perovskites |
| Institutionen der Universität: | Fakultäten > Fakultät für Mathematik, Physik und Informatik > Fachgruppe Materialwissenschaften > Lehrstuhl Kristallographie > Lehrstuhl Kristallographie - Univ.-Prof. Dr. Sander van Smaalen Fakultäten Fakultäten > Fakultät für Mathematik, Physik und Informatik Fakultäten > Fakultät für Mathematik, Physik und Informatik > Fachgruppe Materialwissenschaften Fakultäten > Fakultät für Mathematik, Physik und Informatik > Fachgruppe Materialwissenschaften > Lehrstuhl Kristallographie |
| Titel an der UBT entstanden: | Ja |
| Themengebiete aus DDC: | 500 Naturwissenschaften und Mathematik > 530 Physik |
| Eingestellt am: | 26 Feb 2016 07:59 |
| Letzte Änderung: | 26 Feb 2016 07:59 |
| URI: | https://eref.uni-bayreuth.de/id/eprint/31183 |