Materials Data on Li6Sb2S7 by Materials Project

Kristin Persson
Li6Sb2S7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to five S2- atoms to form LiS5 trigonal bipyramids that share corners with six LiS5 square pyramids, corners with three equivalent LiS5 trigonal bipyramids, edges with four equivalent SbS6 octahedra, and edges with four LiS5 square pyramids. There are a spread of Li–S bond distances ranging from 2.51–2.72 Å....
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