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DOE OSTI · 1318145

Materials Data on CoS2 by Materials Project

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Abstract

CoS2 is trigonal omega-like structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are two inequivalent Co4+ sites. In the first Co4+ site, Co4+ is bonded to six S2- atoms to form edge-sharing CoS6 octahedra. All Co–S bond lengths are 2.24 Å. In the second Co4+ site, Co4+ is bonded to six S2- atoms to form edge-sharing CoS6 octahedra. All Co–S bond lengths are 2.24 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted T-shaped geometry to three Co4+ atoms. In the second S2- site, S2- is bonded in a distorted T-shaped geometry to three Co4+ atoms.

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36 MATERIALS SCIENCECo-SCoS2crystal structure

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2020-07-22. Materials Data on CoS2 by Materials Project. https://doi.org/10.17188/1318145

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