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DOE OSTI · 1194052

Materials Data on MgCr2O4 by Materials Project

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Abstract

MgCr2O4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent O2- atoms to form MgO4 tetrahedra that share corners with twelve equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Mg–O bond lengths are 2.00 Å. Cr3+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent MgO4 tetrahedra and edges with six equivalent CrO6 octahedra. All Cr–O bond lengths are 2.03 Å. O2- is bonded to one Mg2+ and three equivalent Cr3+ atoms to form a mixture of distorted edge and corner-sharing OMgCr3 trigonal pyramids.

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36 MATERIALS SCIENCECr-Mg-Ocrystal structureMgCr2O4

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2020-05-09. Materials Data on MgCr2O4 by Materials Project. https://doi.org/10.17188/1194052

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