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DOE OSTI · 1191272

Materials Data on Cu(RhSe2)2 by Materials Project

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Abstract

CuRh2Se4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Rh+3.50+ is bonded to six equivalent Se2- atoms to form RhSe6 octahedra that share corners with six equivalent CuSe4 tetrahedra and edges with six equivalent RhSe6 octahedra. All Rh–Se bond lengths are 2.51 Å. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with twelve equivalent RhSe6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Cu–Se bond lengths are 2.42 Å. Se2- is bonded to three equivalent Rh+3.50+ and one Cu1+ atom to form a mixture of distorted edge and corner-sharing SeCuRh3 trigonal pyramids.

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36 MATERIALS SCIENCEcrystal structureCu(RhSe2)2Cu-Rh-Se

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2020-07-16. Materials Data on Cu(RhSe2)2 by Materials Project. https://doi.org/10.17188/1191272

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