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DOE OSTI · 1752596

Materials Data on ThUS2 by Materials Project

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Abstract

UThS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. U is bonded to six equivalent S atoms to form US6 octahedra that share corners with six equivalent ThS6 octahedra, edges with six equivalent US6 octahedra, and edges with six equivalent ThS6 octahedra. The corner-sharing octahedral tilt angles are 3°. All U–S bond lengths are 2.75 Å. Th is bonded to six equivalent S atoms to form ThS6 octahedra that share corners with six equivalent US6 octahedra, edges with six equivalent US6 octahedra, and edges with six equivalent ThS6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Th–S bond lengths are 2.85 Å. S is bonded to three equivalent U and three equivalent Th atoms to form a mixture of corner and edge-sharing STh3U3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureS-Th-UThUS2

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2020-05-03. Materials Data on ThUS2 by Materials Project. https://doi.org/10.17188/1752596

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