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DOE OSTI · 1308632

Materials Data on Li3SbS4 by Materials Project

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Abstract

Li3SbS4 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 LiS4 tetrahedra that share corners with eight equivalent LiS4 tetrahedra and edges with two equivalent SbS4 tetrahedra. All Li–S bond lengths are 2.58 Å. Sb5+ is bonded to four equivalent S2- atoms to form SbS4 tetrahedra that share edges with six equivalent LiS4 tetrahedra. All Sb–S bond lengths are 2.35 Å. S2- is bonded to three equivalent Li1+ and one Sb5+ atom to form a mixture of distorted edge and corner-sharing SLi3Sb trigonal pyramids.

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36 MATERIALS SCIENCEcrystal structureLi-S-SbLi3SbS4

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2020-05-02. Materials Data on Li3SbS4 by Materials Project. https://doi.org/10.17188/1308632

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