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DOE OSTI · 1196440

Materials Data on In2CoS4 by Materials Project

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Abstract

CoIn2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Co2+ is bonded to four equivalent S2- atoms to form CoS4 tetrahedra that share corners with twelve equivalent InS6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Co–S bond lengths are 2.31 Å. In3+ is bonded to six equivalent S2- atoms to form InS6 octahedra that share corners with six equivalent CoS4 tetrahedra and edges with six equivalent InS6 octahedra. All In–S bond lengths are 2.65 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to one Co2+ and three equivalent In3+ atoms.

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36 MATERIALS SCIENCECo-In-Scrystal structureIn2CoS4

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2020-07-14. Materials Data on In2CoS4 by Materials Project. https://doi.org/10.17188/1196440

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