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DOE OSTI · 1664912

Materials Data on SmTmS2 by Materials Project

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Abstract

TmSmS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tm is bonded to six equivalent S atoms to form TmS6 octahedra that share corners with six equivalent SmS6 octahedra, edges with six equivalent TmS6 octahedra, and edges with six equivalent SmS6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Tm–S bond lengths are 2.71 Å. Sm is bonded to six equivalent S atoms to form SmS6 octahedra that share corners with six equivalent TmS6 octahedra, edges with six equivalent TmS6 octahedra, and edges with six equivalent SmS6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Sm–S bond lengths are 2.85 Å. S is bonded to three equivalent Tm and three equivalent Sm atoms to form a mixture of edge and corner-sharing SSm3Tm3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureS-Sm-TmSmTmS2

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2020-07-23. Materials Data on SmTmS2 by Materials Project. https://doi.org/10.17188/1664912

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