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URN to cite this document: urn:nbn:de:bvb:703-epub-8813-7
Title data
Kotla, Surya Rohith ; Ramakrishnan, Sitaram ; Schaller, Achim ; Rekis, Toms ; Eisele, Claudio ; Bao, Jin-Ke ; Noohinejad, Leila ; de Laitre, Geoffroy ; de Boissieu, Marc ; van Smaalen, Sander:
Deciphering the commensurately modulated monoclinic phase of Rb₂ZnCl₄ at low temperatures.
In: Journal of Solid State Chemistry.
Vol. 345
(2025)
.
- 125226.
ISSN 0022-4596
DOI der Verlagsversion: https://doi.org/10.1016/j.jssc.2025.125226
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Project information
| Project title: |
Project's official title Project's id Aperiodische Kristalle: Struktur, Dynamik und elektronische Eigenschaften 406658237 Open Access Publizieren No information |
|---|---|
| Project financing: |
Deutsche Forschungsgemeinschaft |
Abstract
The ferroelectric phase III of Rb2ZnCl4 is stable below Tc = 192 K. It is known to be a threefold superstructure of the centrosymmetric high-temperature structure, with space group P21cn. Below TL = 70 K, phase IV exists as a sixfold superstructure. We report the crystal structure of phase IV with monoclinic symmetry Cc (b unique), while a structure model with symmetry Pn (c unique) leads to an almost equally good, yet significantly worse fit to the diffraction data. Employing the superspace approach to these commensurately modulated structures results in modulation waves that follow the two-dimensional irreducible representation T1 of P21cn, albeit with different order parameter directions defining Cc and Pn symmetries, consistent with the literature. Standard tools of crystal-chemical analysis indicate that the sixfold superstructure is more stable than the threefold superstructure of phase III. However, crystal-chemical arguments cannot distinguish between the correct superstructure model with space group Cc (b unique) and the incorrect superstructure model with symmetry Pn (c unique) for phase IV. New crystal chemical tools are required, in order to attain a meaningful understanding of superstructure formation.
Further data
| Item Type: | Article in a journal |
|---|---|
| Keywords: | Modulated structure; Synchrotron radiation; Crystal-chemical analysis; Successive phase transitions; Single crystal X-ray diffraction; Mode analysis |
| DDC Subjects: | 500 Science > 540 Chemistry |
| Institutions of the University: | Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics > Former Professors > 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 > Department of Physics Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics > Former Professors |
| Language: | English |
| Originates at UBT: | Yes |
| URN: | urn:nbn:de:bvb:703-epub-8813-7 |
| Date Deposited: | 27 Jan 2026 08:11 |
| Last Modified: | 27 Jan 2026 08:12 |
| URI: | https://epub.uni-bayreuth.de/id/eprint/8813 |
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