Multiple Polymorphs and their Relationships in the Potential Ferroelectric Piperazinium Tetrafluoroborate.

Sam Y Thompson, Ella I D Thomson, Faith G Pritchard, Toby J Blundell, Jan R R Verlet, John S O Evans

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Article in Crystal growth & design, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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5 · Who and what money

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6 authors.

Sam Y ThompsonDepartment of Chemistry, Durham University, Lower Mount Joy, South Road, Durham DH1 3LE, U.K.ORCID https://orcid.org/0000-0003-0184-3643

Ella I D ThomsonDepartment of Chemistry, Durham University, Lower Mount Joy, South Road, Durham DH1 3LE, U.K.

Faith G PritchardDepartment of Chemistry, Durham University, Lower Mount Joy, South Road, Durham DH1 3LE, U.K.

Toby J BlundellDepartment of Chemistry, Durham University, Lower Mount Joy, South Road, Durham DH1 3LE, U.K.ORCID https://orcid.org/0000-0002-7296-1471

Jan R R VerletDepartment of Chemistry, Durham University, Lower Mount Joy, South Road, Durham DH1 3LE, U.K.ORCID https://orcid.org/0000-0002-9480-432X

John S O EvansDepartment of Chemistry, Durham University, Lower Mount Joy, South Road, Durham DH1 3LE, U.K.ORCID https://orcid.org/0000-0001-6305-6341

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Symmetry-raising phase transitions are essential in the understanding of ferroelectric materials. Here, we investigate the complex polymorphism of piperazinium tetrafluoroborate, identified as a potential ferroelectric by our database search tool, FERROSCOPE. Using powder and single-crystal X-ray diffraction techniques, we have solved the structures of five polymorphs, two of which are newly observed. Space group choices were informed by variable-temperature second-harmonic generation measurements. We extend the structural family to piperazinium perrhenate and solve its room and low temperature structures. Group-subgroup analysis rationalizes the relationship between all phases including those of piperazinium perchlorate previously reported in the literature.

Identifiers

PMID41427023

DOI10.1021/acs.cgd.5c01210

PMCPMC12715757

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