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Materials Data on YUS2 by Materials Project

UYS2 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 YS6 octahedra, edges with six equivalent US6 octahedra, and edges with six equivalent YS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All U–S bond lengths are 2.76 Å. Y is bonded to six equivalent S atoms to form YS6 octahedra that share corners with six equivalent US6 octahedra, edges with six equivalent US6 octahedra, and edges with six equivalent YS6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Y–S bond lengths are 2.75 Å. S is bonded to three equivalent U and three equivalent Y atoms to form a mixture of corner and edge-sharing SY3U3 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗