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DOE OSTI · 1739267

Materials Data on YbSmS2 by Materials Project

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Abstract

YbSmS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Yb2+ is bonded to six equivalent S2- atoms to form YbS6 octahedra that share corners with six equivalent SmS6 octahedra, edges with six equivalent YbS6 octahedra, and edges with six equivalent SmS6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Yb–S bond lengths are 2.80 Å. Sm2+ is bonded to six equivalent S2- atoms to form SmS6 octahedra that share corners with six equivalent YbS6 octahedra, edges with six equivalent YbS6 octahedra, and edges with six equivalent SmS6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Sm–S bond lengths are 2.84 Å. S2- is bonded to three equivalent Yb2+ and three equivalent Sm2+ atoms to form a mixture of corner and edge-sharing SYb3Sm3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureS-Sm-YbYbSmS2

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2020-05-03. Materials Data on YbSmS2 by Materials Project. https://doi.org/10.17188/1739267

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