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DOE OSTI · 1281793

Materials Data on Co(NiS2)2 by Materials Project

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Abstract

CoNi2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Co4+ is bonded to four equivalent S2- atoms to form CoS4 tetrahedra that share corners with twelve equivalent NiS6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Co–S bond lengths are 2.13 Å. Ni2+ is bonded to six equivalent S2- atoms to form NiS6 octahedra that share corners with six equivalent CoS4 tetrahedra and edges with six equivalent NiS6 octahedra. All Ni–S bond lengths are 2.29 Å. S2- is bonded in a distorted rectangular see-saw-like geometry to one Co4+ and three equivalent Ni2+ atoms.

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36 MATERIALS SCIENCECo(NiS2)2Co-Ni-Scrystal structure

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2020-07-14. Materials Data on Co(NiS2)2 by Materials Project. https://doi.org/10.17188/1281793

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