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DOE OSTI · 1475769

Materials Data on CaCoO3 by Materials Project

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Abstract

CaCoO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca2+ is bonded to twelve equivalent O2- atoms to form CaO12 cuboctahedra that share corners with twelve equivalent CaO12 cuboctahedra, faces with six equivalent CaO12 cuboctahedra, and faces with eight equivalent CoO6 octahedra. All Ca–O bond lengths are 2.66 Å. Co4+ is bonded to six equivalent O2- atoms to form CoO6 octahedra that share corners with six equivalent CoO6 octahedra and faces with eight equivalent CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Co–O bond lengths are 1.88 Å. O2- is bonded in a distorted linear geometry to four equivalent Ca2+ and two equivalent Co4+ atoms.

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36 MATERIALS SCIENCECa-Co-OCaCoO3crystal structure

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2020-07-20. Materials Data on CaCoO3 by Materials Project. https://doi.org/10.17188/1475769

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