Materials Data on Li8Sb2S by Materials Project

Abstract

Li8Sb2S crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a distorted trigonal planar geometry to two equivalent Sb3- and one S2- atom. There are one shorter (2.74 Å) and one longer (2.79 Å) Li–Sb bond lengths. The Li–S bond length is 2.38 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to three equivalent Sb3- and one S2- atom. There are a spread of Li–Sb bond distances ranging from 2.87–3.24 Å. The Li–S bond length is 2.52 Å. In the third Li1+ site, Li1+ is bonded in a distorted trigonal planar geometry to two equivalent Sb3- and one S2- atom. There are one shorter (2.83 Å) and one longer (2.85 Å) Li–Sb bond lengths. The Li–S bond length is 2.39 Å. In the fourth Li1+ site, Li1+ is bonded in a trigonal planar geometry to three equivalent Sb3- atoms. There are a spread of Li–Sb bond distances ranging from 2.76–2.84 Å. Sb3- is bonded in a 10-coordinate geometry to ten Li1+ atoms. S2- is bonded in a 6-coordinate geometry to six Li1+ atoms.