DOI: 10.17188/1303135
title: Materials Data on V2OF5 by Materials Project

description: V2OF5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent V+3.50+ sites. In the first V+3.50+ site, V+3.50+ is bonded to one O2- and five F1- atoms to form corner-sharing VOF5 octahedra. The corner-sharing octahedra tilt angles range from 23–34°. The V–O bond length is 1.97 Å. There are a spread of V–F bond distances ranging from 1.96–2.00 Å. In the second V+3.50+ site, V+3.50+ is bonded to one O2- and five F1- atoms to form corner-sharing VOF5 octahedra. The corner-sharing octahedra tilt angles range from 22–31°. The V–O bond length is 1.68 Å. There are a spread of V–F bond distances ranging from 1.96–2.04 Å. In the third V+3.50+ site, V+3.50+ is bonded to one O2- and five F1- atoms to form corner-sharing VOF5 octahedra. The corner-sharing octahedra tilt angles range from 22–34°. The V–O bond length is 1.68 Å. There are a spread of V–F bond distances ranging from 1.97–2.02 Å. In the fourth V+3.50+ site, V+3.50+ is bonded to one O2- and five F1- atoms to form corner-sharing VOF5 octahedra. The corner-sharing octahedra tilt angles range from 22–31°. The V–O bond length is 1.69 Å. There are a spread of V–F bond distances ranging from 1.97–2.03 Å. In the fifth V+3.50+ site, V+3.50+ is bonded to one O2- and five F1- atoms to form corner-sharing VOF5 octahedra. The corner-sharing octahedra tilt angles range from 22–32°. The V–O bond length is 1.96 Å. There are a spread of V–F bond distances ranging from 1.96–1.98 Å. In the sixth V+3.50+ site, V+3.50+ is bonded to one O2- and five F1- atoms to form corner-sharing VOF5 octahedra. The corner-sharing octahedra tilt angles range from 22–34°. The V–O bond length is 1.97 Å. There are a spread of V–F bond distances ranging from 1.97–2.01 Å. In the seventh V+3.50+ site, V+3.50+ is bonded to one O2- and five F1- atoms to form corner-sharing VOF5 octahedra. The corner-sharing octahedra tilt angles range from 23–34°. The V–O bond length is 1.69 Å. There are a spread of V–F bond distances ranging from 1.95–2.05 Å. In the eighth V+3.50+ site, V+3.50+ is bonded to one O2- and five F1- atoms to form corner-sharing VOF5 octahedra. The corner-sharing octahedra tilt angles range from 22–30°. The V–O bond length is 1.96 Å. There is four shorter (1.97 Å) and one longer (1.99 Å) V–F bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two V+3.50+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two V+3.50+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two V+3.50+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two V+3.50+ atoms. There are twenty inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.50+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.50+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.50+ atoms. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.50+ atoms. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.50+ atoms. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.50+ atoms. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.50+ atoms. In the eighth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.50+ atoms. In the ninth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.50+ atoms. In the tenth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.50+ atoms. In the eleventh F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.50+ atoms. In the twelfth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.50+ atoms. In the thirteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.50+ atoms. In the fourteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.50+ atoms. In the fifteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.50+ atoms. In the sixteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.50+ atoms. In the seventeenth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.50+ atoms. In the eighteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.50+ atoms. In the nineteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.50+ atoms. In the twentieth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.50+ atoms.