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DOE OSTI · 1261776

Materials Data on Cr2CuO4 by Materials Project

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Abstract

CuCr2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent CuO4 tetrahedra and edges with six equivalent CrO6 octahedra. All Cr–O bond lengths are 2.02 Å. Cu2+ is bonded to four equivalent O2- atoms to form CuO4 tetrahedra that share corners with twelve equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 59°. All Cu–O bond lengths are 2.01 Å. O2- is bonded to three equivalent Cr3+ and one Cu2+ atom to form a mixture of distorted edge and corner-sharing OCr3Cu trigonal pyramids.

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36 MATERIALS SCIENCECr-Cu-OCr2CuO4crystal structure

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2020-07-16. Materials Data on Cr2CuO4 by Materials Project. https://doi.org/10.17188/1261776

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