Structure and Anharmonicity of α- and β-Sb2O3 at Low Temperature

Moseley, Duncan H.; Bridges, Craig A.; Daemen, Luke L.; Zhang, Qiang; McGuire, Michael A.; Cakmak, Ercan; Hermann, Raphaël P.

doi:10.3390/cryst13050752

Title: Structure and Anharmonicity of α- and β-Sb₂O₃ at Low Temperature

Journal Article · 01 May 2023 · Crystals

DOI: https://doi.org/10.3390/cryst13050752 · OSTI ID:1972567

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Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Antimony oxides are important materials for catalysis and flame-retardant applications. The two most common phases, α-Sb₂O₃ (senarmontite) and β-Sb₂O₃ (valentinite), have been studied extensively. Specific focus has been placed recently on their lattice dynamics properties and how they relate to the α-β phase transformation and their potential anharmonicity. However, there has not been any direct investigation of anharmonicity in these systems, and a surprising lack of low-temperature structural information has prevented further study. Here, we report the powder neutron diffraction data of both phases of Sb₂O₃, as well as structural information. α-Sb₂O₃ behaved as expected, but β-Sb₂O₃ revealed a small region of zero thermal expansion along the c axis. Additionally, while the β phase matched well with reported atomic displacement parameters, the α phase displayed a marked deviation. This data will enable further investigations into these systems.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE); USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1972567

Journal Information:: Crystals, Vol. 13, Issue 5; ISSN 2073-4352

Publisher:: MDPICopyright Statement

Country of Publication:: United States

Language:: English

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36 MATERIALS SCIENCE
mixed valence
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Title: Structure and Anharmonicity of α- and β-Sb2O3 at Low Temperature

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Title: Structure and Anharmonicity of α- and β-Sb₂O₃ at Low Temperature