at Google ScholarTitle data
Tamazyan, Rafael ; van Smaalen, Sander:
Quantitative description of the tilt of distorted octahedra in \it ABX\sb 3 structures.
In: Acta Crystallographica Section B.
Vol. 63
(2007)
Issue 2
.
- pp. 190-200.
ISSN 2052-5206
DOI: https://doi.org/10.1107/S010876810605244X
Abstract in another language
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.
Further data
| Item Type: | Article in a journal |
|---|---|
| Refereed: | Yes |
| Keywords: | tilting; distorted octahedra; perovskites |
| Institutions of the University: | Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences > Chair Crystallography > Chair Crystallography - Univ.-Prof. Dr. Sander van Smaalen Faculties Faculties > Faculty of Mathematics, Physics und Computer Science Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences Faculties > Faculty of Mathematics, Physics und Computer Science > Group Material Sciences > Chair Crystallography |
| Result of work at the UBT: | Yes |
| DDC Subjects: | 500 Science > 530 Physics |
| Date Deposited: | 26 Feb 2016 07:59 |
| Last Modified: | 26 Feb 2016 07:59 |
| URI: | https://eref.uni-bayreuth.de/id/eprint/31183 |