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DOE OSTI · 1692593

Materials Data on SmGdSe2 by Materials Project

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Abstract

GdSmSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Gd is bonded to six equivalent Se atoms to form GdSe6 octahedra that share corners with six equivalent SmSe6 octahedra, edges with six equivalent GdSe6 octahedra, and edges with six equivalent SmSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Gd–Se bond lengths are 2.94 Å. Sm is bonded to six equivalent Se atoms to form SmSe6 octahedra that share corners with six equivalent GdSe6 octahedra, edges with six equivalent GdSe6 octahedra, and edges with six equivalent SmSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sm–Se bond lengths are 2.95 Å. Se is bonded to three equivalent Gd and three equivalent Sm atoms to form a mixture of edge and corner-sharing SeSm3Gd3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureGd-Se-SmSmGdSe2

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2020-05-03. Materials Data on SmGdSe2 by Materials Project. https://doi.org/10.17188/1692593

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