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DOE OSTI · 1289205

Materials Data on Li3CrS4 by Materials Project

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Abstract

Li3CrS4 is Sulvanite structured and crystallizes in the cubic P-43m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent S2- atoms to form distorted LiS4 tetrahedra that share corners with eight equivalent LiS4 tetrahedra and edges with two equivalent CrS4 tetrahedra. All Li–S bond lengths are 2.46 Å. Cr5+ is bonded to four equivalent S2- atoms to form CrS4 tetrahedra that share edges with six equivalent LiS4 tetrahedra. All Cr–S bond lengths are 2.13 Å. S2- is bonded to three equivalent Li1+ and one Cr5+ atom to form a mixture of corner and edge-sharing SLi3Cr trigonal pyramids.

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36 MATERIALS SCIENCECr-Li-Scrystal structureLi3CrS4

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2020-05-03. Materials Data on Li3CrS4 by Materials Project. https://doi.org/10.17188/1289205

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