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Extensive Polymorphism in the Molecular Ferroelectric 18-Crown-6 Oxonium Tetrachloro-Gallium(III)

Thompson, Sam Y.; Devenney, Lauren A.; Yufit, Dmitry S.; Evans, John S.O.

Extensive Polymorphism in the Molecular Ferroelectric 18-Crown-6 Oxonium Tetrachloro-Gallium(III) Thumbnail


Authors

Sam Thompson sam.y.thompson@durham.ac.uk
PGR Student Doctor of Philosophy

Lauren A. Devenney



Abstract

The materials property of ferroelectricity is intimately linked with symmetry-changing phase transitions. Characterizing such transitions is therefore essential for understanding molecular ferroelectrics. In this paper, we explore the temperature and thermal history dependence of polymorphic phase transitions in the multiaxial molecular ferroelectric 18-crown-6 oxonium tetrachloro-gallium(III). We have solved the structures of two previously suggested polymorphs (D and Y) ab initio from high-temperature powder diffraction data. We also report the structure of a new polymorph (X) using low-temperature powder diffraction data and identify a fifth (W) that can form on cooling. These polymorphs can be related using two distinct group–subgroup trees. Structure types A–C observed in this and related compounds can be derived from high-temperature polymorph D by group–subgroup relationships. The X and Y polymorphs can be described as child structures of a hypothetical polymorph Z using a molecular rotational distortion mode description. The ferroelectric properties of the various polymorphs can be rationalized based on our structural findings.

Citation

Thompson, S. Y., Devenney, L. A., Yufit, D. S., & Evans, J. S. (2023). Extensive Polymorphism in the Molecular Ferroelectric 18-Crown-6 Oxonium Tetrachloro-Gallium(III). Crystal Growth and Design, 23(4), 2860-2869. https://doi.org/10.1021/acs.cgd.3c00017

Journal Article Type Article
Online Publication Date Mar 23, 2023
Publication Date 2023
Deposit Date Apr 27, 2023
Publicly Available Date Apr 27, 2023
Journal Crystal Growth & Design
Print ISSN 1528-7483
Electronic ISSN 1528-7505
Publisher American Chemical Society
Peer Reviewed Peer Reviewed
Volume 23
Issue 4
Pages 2860-2869
DOI https://doi.org/10.1021/acs.cgd.3c00017

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