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DOE OSTI · 1195854

Materials Data on CoS2 by Materials Project

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Abstract

CoS2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Co4+ is bonded to six equivalent S2- atoms to form CoS6 octahedra that share corners with twelve equivalent CoS6 octahedra and corners with six equivalent SCo3S tetrahedra. The corner-sharing octahedral tilt angles are 65°. All Co–S bond lengths are 2.31 Å. S2- is bonded to three equivalent Co4+ and one S2- atom to form distorted SCo3S tetrahedra that share corners with three equivalent CoS6 octahedra and corners with fifteen equivalent SCo3S tetrahedra. The corner-sharing octahedral tilt angles are 77°. The S–S bond length is 2.14 Å.

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36 MATERIALS SCIENCECo-SCoS2crystal structure

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2020-07-15. Materials Data on CoS2 by Materials Project. https://doi.org/10.17188/1195854

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