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DOE OSTI · 1187363

Materials Data on RbLuSe2 by Materials Project

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Abstract

RbLuSe2 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 LuSe6 octahedra, edges with six equivalent RbSe6 octahedra, and edges with six equivalent LuSe6 octahedra. The corner-sharing octahedral tilt angles are 13°. All Rb–Se bond lengths are 3.44 Å. Lu3+ is bonded to six equivalent Se2- atoms to form LuSe6 octahedra that share corners with six equivalent RbSe6 octahedra, edges with six equivalent RbSe6 octahedra, and edges with six equivalent LuSe6 octahedra. The corner-sharing octahedral tilt angles are 13°. All Lu–Se bond lengths are 2.85 Å. Se2- is bonded to three equivalent Rb1+ and three equivalent Lu3+ atoms to form a mixture of corner and edge-sharing SeRb3Lu3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureLu-Rb-SeRbLuSe2

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2020-07-16. Materials Data on RbLuSe2 by Materials Project. https://doi.org/10.17188/1187363

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