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DOE OSTI · 1730072

Materials Data on Co2ClO3 by Materials Project

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Abstract

Co2O3Cl crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Co+3.50+ sites. In the first Co+3.50+ site, Co+3.50+ is bonded to six equivalent O2- atoms to form edge-sharing CoO6 octahedra. All Co–O bond lengths are 1.90 Å. In the second Co+3.50+ site, Co+3.50+ is bonded to four equivalent O2- and two equivalent Cl1- atoms to form distorted edge-sharing CoCl2O4 octahedra. All Co–O bond lengths are 1.95 Å. Both Co–Cl bond lengths are 2.47 Å. O2- is bonded in a distorted trigonal non-coplanar geometry to three Co+3.50+ and one Cl1- atom. The O–Cl bond length is 2.91 Å. Cl1- is bonded in a 6-coordinate geometry to three equivalent Co+3.50+ and three equivalent O2- atoms.

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36 MATERIALS SCIENCECl-Co-OCo2ClO3crystal structure

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2020-05-02. Materials Data on Co2ClO3 by Materials Project. https://doi.org/10.17188/1730072

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