Materials Data on V2OF7 by Materials Project

Abstract

V2OF7 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one V2OF7 ribbon oriented in the (0, 1, 1) direction. there are two inequivalent V+4.50+ sites. In the first V+4.50+ site, V+4.50+ is bonded in a distorted octahedral geometry to one O2- and five F1- atoms. The V–O bond length is 2.30 Å. There are a spread of V–F bond distances ranging from 1.77–2.43 Å. In the second V+4.50+ site, V+4.50+ is bonded in a distorted single-bond geometry to five F1- atoms. There are a spread of V–F bond distances ranging from 1.04–2.51 Å. O2- is bonded in a 1-coordinate geometry to one V+4.50+ atom. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted water-like geometry to two V+4.50+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one V+4.50+ atom. In the third F1- site, F1- is bonded in a 1-coordinate geometry to one V+4.50+ atom. In the fourth F1- site, F1- is bonded in an L-shaped geometry to two V+4.50+ atoms. In the fifth F1- site, F1- is bonded in a single-bond geometry to one V+4.50+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one V+4.50+ atom. In the seventh F1- site, F1- is bonded in a 2-coordinate geometry to two V+4.50+ atoms.