Materials Data on Li2(VS2)3 by Materials Project

Abstract

Li2(VS2)3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Li1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Li–S bond lengths are 2.29 Å. V+3.33+ is bonded to six S2- atoms to form distorted edge-sharing VS6 pentagonal pyramids. There are two shorter (2.35 Å) and four longer (2.37 Å) V–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a rectangular see-saw-like geometry to one Li1+ and three equivalent V+3.33+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent V+3.33+ atoms.