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DOE OSTI · 1187358

Materials Data on RbSmSe2 by Materials Project

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Abstract

RbSmSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent Se2- atoms to form distorted RbSe6 octahedra that share corners with six equivalent SmSe6 octahedra, edges with six equivalent RbSe6 octahedra, and edges with six equivalent SmSe6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Rb–Se bond lengths are 3.48 Å. Sm3+ is bonded to six equivalent Se2- atoms to form SmSe6 octahedra that share corners with six equivalent RbSe6 octahedra, edges with six equivalent RbSe6 octahedra, and edges with six equivalent SmSe6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Sm–Se bond lengths are 2.97 Å. Se2- is bonded to three equivalent Rb1+ and three equivalent Sm3+ atoms to form a mixture of edge and corner-sharing SeRb3Sm3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureRb-Se-SmRbSmSe2

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2020-07-16. Materials Data on RbSmSe2 by Materials Project. https://doi.org/10.17188/1187358

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