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

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

doi:10.3390/cryst13050752

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

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

Research output: Contribution to journal › Article › peer-review

Abstract

Antimony oxides are important materials for catalysis and flame-retardant applications. The two most common phases, (Formula presented.) -Sb₂O₃ (senarmontite) and (Formula presented.) -Sb₂O₃ (valentinite), have been studied extensively. Specific focus has been placed recently on their lattice dynamics properties and how they relate to the (Formula presented.) - (Formula presented.) 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. (Formula presented.) -Sb₂O₃ behaved as expected, but (Formula presented.) -Sb₂O₃ revealed a small region of zero thermal expansion along the c axis. Additionally, while the (Formula presented.) phase matched well with reported atomic displacement parameters, the (Formula presented.) phase displayed a marked deviation. This data will enable further investigations into these systems.

Original language	English
Article number	752
Journal	Crystals
Volume	13
Issue number	5
DOIs	https://doi.org/10.3390/cryst13050752
State	Published - May 2023

Funding

Neutron scattering work by D.H.M., C.A.B., and R.P.H. and the X-ray scattering work by M.A.M. were supported by the US Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences (BES), Materials Sciences and Engineering Division. Samples were provided by L.L.D., supported by the US Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences (BES), Neutron Scattering Division. A portion of this research (Diffraction at POWGEN, conducted with Q.Z.) used resources at the Spallation Neutron Source, supported by DOE, BES, Scientific User Facilities Division. We thank Jim Horenburg and Shaw Reeves for their assistance in SEM sample preparation.

Funders	Funder number
U.S. Department of Energy
Office of Science
Basic Energy Sciences
Division of Materials Sciences and Engineering

Keywords

anharmonicity
low temperature
mixed valence
powder diffraction

Access to Document

10.3390/cryst13050752

Cite this

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title = "Structure and Anharmonicity of α- and β-Sb2O3 at Low Temperature",

abstract = "Antimony oxides are important materials for catalysis and flame-retardant applications. The two most common phases, (Formula presented.) -Sb2O3 (senarmontite) and (Formula presented.) -Sb2O3 (valentinite), have been studied extensively. Specific focus has been placed recently on their lattice dynamics properties and how they relate to the (Formula presented.) - (Formula presented.) 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. (Formula presented.) -Sb2O3 behaved as expected, but (Formula presented.) -Sb2O3 revealed a small region of zero thermal expansion along the c axis. Additionally, while the (Formula presented.) phase matched well with reported atomic displacement parameters, the (Formula presented.) phase displayed a marked deviation. This data will enable further investigations into these systems.",

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AU - Moseley, Duncan H.

AU - Bridges, Craig A.

AU - Daemen, Luke L.

AU - Zhang, Qiang

AU - McGuire, Michael A.

AU - Cakmak, Ercan

AU - Hermann, Raphaël P.

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N2 - Antimony oxides are important materials for catalysis and flame-retardant applications. The two most common phases, (Formula presented.) -Sb2O3 (senarmontite) and (Formula presented.) -Sb2O3 (valentinite), have been studied extensively. Specific focus has been placed recently on their lattice dynamics properties and how they relate to the (Formula presented.) - (Formula presented.) 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. (Formula presented.) -Sb2O3 behaved as expected, but (Formula presented.) -Sb2O3 revealed a small region of zero thermal expansion along the c axis. Additionally, while the (Formula presented.) phase matched well with reported atomic displacement parameters, the (Formula presented.) phase displayed a marked deviation. This data will enable further investigations into these systems.

AB - Antimony oxides are important materials for catalysis and flame-retardant applications. The two most common phases, (Formula presented.) -Sb2O3 (senarmontite) and (Formula presented.) -Sb2O3 (valentinite), have been studied extensively. Specific focus has been placed recently on their lattice dynamics properties and how they relate to the (Formula presented.) - (Formula presented.) 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. (Formula presented.) -Sb2O3 behaved as expected, but (Formula presented.) -Sb2O3 revealed a small region of zero thermal expansion along the c axis. Additionally, while the (Formula presented.) phase matched well with reported atomic displacement parameters, the (Formula presented.) phase displayed a marked deviation. This data will enable further investigations into these systems.

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