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DOE OSTI · 1666919

Materials Data on Cr2CuO4 by Materials Project

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Abstract

CuCr2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd 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 2.01 Å. Cu2+ is bonded to four equivalent O2- atoms to form CuO4 tetrahedra that share corners with twelve equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 57–64°. All Cu–O bond lengths are 2.00 Å. O2- is bonded in a rectangular see-saw-like geometry to three equivalent Cr3+ and one Cu2+ atom.

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36 MATERIALS SCIENCECr-Cu-OCr2CuO4crystal structure

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2020-06-05. Materials Data on Cr2CuO4 by Materials Project. https://doi.org/10.17188/1666919

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