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DOE OSTI · 1749347

Materials Data on YUSb2 by Materials Project

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Abstract

UYSb2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. U3+ is bonded to six equivalent Sb3- atoms to form USb6 octahedra that share corners with six equivalent YSb6 octahedra, edges with six equivalent USb6 octahedra, and edges with six equivalent YSb6 octahedra. The corner-sharing octahedral tilt angles are 0°. All U–Sb bond lengths are 3.11 Å. Y3+ is bonded to six equivalent Sb3- atoms to form YSb6 octahedra that share corners with six equivalent USb6 octahedra, edges with six equivalent USb6 octahedra, and edges with six equivalent YSb6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Y–Sb bond lengths are 3.10 Å. Sb3- is bonded to three equivalent U3+ and three equivalent Y3+ atoms to form a mixture of edge and corner-sharing SbY3U3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureSb-U-YYUSb2

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2020-05-03. Materials Data on YUSb2 by Materials Project. https://doi.org/10.17188/1749347

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