Materials Data on Li2V3F8 by Materials Project

Abstract

Li2V3F8 is beta indium sulfide-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six equivalent F1- atoms. There are three shorter (2.13 Å) and three longer (2.43 Å) Li–F bond lengths. V2+ is bonded to six F1- atoms to form edge-sharing VF6 octahedra. There are two shorter (2.10 Å) and four longer (2.13 Å) V–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent V2+ atoms. In the second F1- site, F1- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li1+ and two equivalent V2+ atoms.