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DOE OSTI · 1198991

Materials Data on Cr2CuS4 by Materials Project

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Abstract

CuCr2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent S2- atoms to form CrS6 octahedra that share corners with six equivalent CuS4 tetrahedra and edges with six equivalent CrS6 octahedra. All Cr–S bond lengths are 2.39 Å. Cu2+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with twelve equivalent CrS6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Cu–S bond lengths are 2.27 Å. S2- is bonded to three equivalent Cr3+ and one Cu2+ atom to form a mixture of distorted edge and corner-sharing SCr3Cu trigonal pyramids.

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36 MATERIALS SCIENCECr-Cu-SCr2CuS4crystal structure

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2020-07-16. Materials Data on Cr2CuS4 by Materials Project. https://doi.org/10.17188/1198991

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