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DOE OSTI · 1207563

Materials Data on Cr2CuSe4 by Materials Project

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Abstract

CuCr2Se4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent Se2- atoms to form CrSe6 octahedra that share corners with six equivalent CuSe4 tetrahedra and edges with six equivalent CrSe6 octahedra. All Cr–Se bond lengths are 2.53 Å. Cu2+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with twelve equivalent CrSe6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Cu–Se bond lengths are 2.39 Å. Se2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Cr3+ and one Cu2+ atom.

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36 MATERIALS SCIENCECr-Cu-SeCr2CuSe4crystal structure

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2020-08-03. Materials Data on Cr2CuSe4 by Materials Project. https://doi.org/10.17188/1207563

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