Structural Changes in Rochelle Salt on Phase Transitions Revisited in a Multi-Temperature Single-Crystal X-ray Diffraction Study Full article
| Journal |
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials
ISSN: 2052-5192 , E-ISSN: 2052-5206 |
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| Output data | Year: 2024, Volume: B80, Number: 2, Pages: 94-104 Pages count : 11 DOI: 10.1107/s205252062400115x | ||||
| Tags | molecular ferroelectrics; Rochelle salt; variable-temperature X-ray diffraction; anisotropic displacement parameter analysis; paraelectric phases; disorder models | ||||
| Authors |
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| Affiliations |
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Funding (2)
| 1 | Ministry of Science and Higher Education of the Russian Federation | Приоритет 2030 |
| 2 | Ministry of Science and Higher Education of the Russian Federation | FWUR-2024-0042 |
Abstract:
Phase transitions in Rochelle salt [sodium potassium L(+)-tartrate tetrahydrate] are revisited in a single-crystal X-ray diffraction multi-temperature study on cooling from 308 to 100 K across the high-temperature paraelectric (PE) ↔ ferroelectric ↔ low-temperature PE phase transition points. The results of structure refinement using three different models (a harmonic with and without disorder, and an anharmonic) were compared. The temperature dependencies of anisotropic displacement parameters (ADPs) and Ueq, which can be calculated directly from ADPs, for the low-temperature PE phase indicate clearly the dynamic nature of disorder of the K1 atoms. The structures of the low-temperature and the high-temperature PE phases are compared for the first time at multiple temperatures for each phase based on diffraction data collected from the same single crystal. The data indicate that the high-temperature and the low-temperature paraelectric phases are probably not two different phases, as was assumed in earlier works, but are structurally the same phase at different temperatures.
Cite:
Sharaya S.S.
, Zakharov B.A.
, Boldyreva E.V.
Structural Changes in Rochelle Salt on Phase Transitions Revisited in a Multi-Temperature Single-Crystal X-ray Diffraction Study
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 2024. V.B80. N2. P.94-104. DOI: 10.1107/s205252062400115x WOS Scopus AN PMID OpenAlex publication_identifier_short.sciact_skif_identifier_type
Structural Changes in Rochelle Salt on Phase Transitions Revisited in a Multi-Temperature Single-Crystal X-ray Diffraction Study
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 2024. V.B80. N2. P.94-104. DOI: 10.1107/s205252062400115x WOS Scopus AN PMID OpenAlex publication_identifier_short.sciact_skif_identifier_type
Dates:
| Submitted: | Nov 27, 2023 |
| Accepted: | Feb 2, 2024 |
| Published print: | Apr 1, 2024 |
Identifiers:
| Web of science: | WOS:001208736300005 |
| Scopus: | 2-s2.0-85189930048 |
| Chemical Abstracts: | 2024:857157 |
| PMID: | 38441051 |
| OpenAlex: | W4392459915 |
| publication_identifier.sciact_skif_identifier_type: | 1714 |