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DOE OSTI · 1718646

Materials Data on Cd(CoO2)2 by Materials Project

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Abstract

Cd(CoO2)2 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Co3+ is bonded to six equivalent O2- atoms to form distorted CoO6 octahedra that share corners with six equivalent CdO4 tetrahedra and edges with six equivalent CoO6 octahedra. There are four shorter (1.93 Å) and two longer (2.23 Å) Co–O bond lengths. Cd2+ is bonded to four equivalent O2- atoms to form CdO4 tetrahedra that share corners with twelve equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 54–65°. All Cd–O bond lengths are 2.18 Å. O2- is bonded to three equivalent Co3+ and one Cd2+ atom to form a mixture of distorted edge and corner-sharing OCdCo3 tetrahedra.

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36 MATERIALS SCIENCECd(CoO2)2Cd-Co-Ocrystal structure

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2020-05-04. Materials Data on Cd(CoO2)2 by Materials Project. https://doi.org/10.17188/1718646

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