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DOE OSTI · 1749234

Materials Data on Li(CoS2)2 by Materials Project

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Abstract

Li(CoS2)2 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Li1+ is bonded to four equivalent S2- atoms to form LiS4 tetrahedra that share corners with twelve equivalent CoS6 octahedra. The corner-sharing octahedra tilt angles range from 59–61°. All Li–S bond lengths are 2.35 Å. Co+3.50+ is bonded to six equivalent S2- atoms to form CoS6 octahedra that share corners with six equivalent LiS4 tetrahedra and edges with six equivalent CoS6 octahedra. All Co–S bond lengths are 2.26 Å. S2- is bonded to one Li1+ and three equivalent Co+3.50+ atoms to form a mixture of distorted edge and corner-sharing SLiCo3 tetrahedra.

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36 MATERIALS SCIENCECo-Li-Scrystal structureLi(CoS2)2

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2020-05-02. Materials Data on Li(CoS2)2 by Materials Project. https://doi.org/10.17188/1749234

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