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DOE OSTI · 1194350

Materials Data on Cr2NiO4 by Materials Project

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Abstract

NiCr2O4 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 NiO4 tetrahedra and edges with six equivalent CrO6 octahedra. There are two shorter (2.02 Å) and four longer (2.03 Å) Cr–O bond lengths. Ni2+ is bonded to four equivalent O2- atoms to form NiO4 tetrahedra that share corners with twelve equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 53–61°. All Ni–O bond lengths are 2.00 Å. O2- is bonded in a rectangular see-saw-like geometry to three equivalent Cr3+ and one Ni2+ atom.

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36 MATERIALS SCIENCECr-Ni-OCr2NiO4crystal structure

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2020-08-03. Materials Data on Cr2NiO4 by Materials Project. https://doi.org/10.17188/1194350

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