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DOE OSTI · 1739163

Materials Data on CaV4(CoO4)3 by Materials Project

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Abstract

CaV4(CoO4)3 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ca2+ is bonded to twelve equivalent O2- atoms to form CaO12 cuboctahedra that share faces with eight equivalent VO6 octahedra. All Ca–O bond lengths are 2.63 Å. V4+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent VO6 octahedra and faces with two equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 40°. All V–O bond lengths are 1.98 Å. Co2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Co–O bond lengths are 1.97 Å. O2- is bonded in a 3-coordinate geometry to one Ca2+, two equivalent V4+, and one Co2+ atom.

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36 MATERIALS SCIENCECa-Co-O-VCaV4(CoO4)3crystal structure

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2020-05-02. Materials Data on CaV4(CoO4)3 by Materials Project. https://doi.org/10.17188/1739163

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