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DOE OSTI · 1727579

Materials Data on SmGdS2 by Materials Project

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Abstract

GdSmS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Gd is bonded to six equivalent S atoms to form GdS6 octahedra that share corners with six equivalent SmS6 octahedra, edges with six equivalent GdS6 octahedra, and edges with six equivalent SmS6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Gd–S bond lengths are 2.80 Å. Sm is bonded to six equivalent S atoms to form SmS6 octahedra that share corners with six equivalent GdS6 octahedra, edges with six equivalent GdS6 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. S is bonded to three equivalent Gd and three equivalent Sm atoms to form a mixture of edge and corner-sharing SSm3Gd3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureGd-S-SmSmGdS2

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2020-05-02. Materials Data on SmGdS2 by Materials Project. https://doi.org/10.17188/1727579

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