Materials Data on LiVS3 by Materials Project

Abstract

LiVS3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded in a distorted pentagonal planar geometry to five S2- atoms. There are a spread of Li–S bond distances ranging from 2.52–2.84 Å. V5+ is bonded to five S2- atoms to form edge-sharing VS5 trigonal bipyramids. There are a spread of V–S bond distances ranging from 2.20–2.41 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted bent 120 degrees geometry to one Li1+ and one V5+ atom. In the second S2- site, S2- is bonded to two equivalent Li1+ and two equivalent V5+ atoms to form distorted edge-sharing SLi2V2 trigonal pyramids. In the third S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent V5+ atoms.