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DOE OSTI · 1287096

Materials Data on RbLaSe2 by Materials Project

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Abstract

RbLaSe2 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 RbSe6 octahedra that share corners with six equivalent LaSe6 octahedra, edges with six equivalent RbSe6 octahedra, and edges with six equivalent LaSe6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Rb–Se bond lengths are 3.52 Å. La3+ is bonded to six equivalent Se2- atoms to form LaSe6 octahedra that share corners with six equivalent RbSe6 octahedra, edges with six equivalent RbSe6 octahedra, and edges with six equivalent LaSe6 octahedra. The corner-sharing octahedral tilt angles are 11°. All La–Se bond lengths are 3.05 Å. Se2- is bonded to three equivalent Rb1+ and three equivalent La3+ atoms to form a mixture of corner and edge-sharing SeRb3La3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureLa-Rb-SeRbLaSe2

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2020-07-16. Materials Data on RbLaSe2 by Materials Project. https://doi.org/10.17188/1287096

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