DOI: 10.17188/1294568
title: Materials Data on V4OF11 by Materials Project

description: V4OF11 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent V+3.25+ sites. In the first V+3.25+ site, V+3.25+ is bonded to one O2- and five F1- atoms to form corner-sharing VOF5 octahedra. The corner-sharing octahedra tilt angles range from 26–34°. The V–O bond length is 1.97 Å. There are a spread of V–F bond distances ranging from 1.96–1.99 Å. In the second V+3.25+ site, V+3.25+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedra tilt angles range from 31–32°. There are a spread of V–F bond distances ranging from 1.96–2.00 Å. In the third V+3.25+ site, V+3.25+ is bonded to one O2- and five F1- atoms to form corner-sharing VOF5 octahedra. The corner-sharing octahedra tilt angles range from 25–30°. The V–O bond length is 1.97 Å. There is three shorter (1.97 Å) and two longer (1.98 Å) V–F bond length. In the fourth V+3.25+ site, V+3.25+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are a spread of V–F bond distances ranging from 1.96–1.99 Å. In the fifth V+3.25+ site, V+3.25+ is bonded to one O2- and five F1- atoms to form corner-sharing VOF5 octahedra. The corner-sharing octahedra tilt angles range from 25–36°. The V–O bond length is 1.69 Å. There are a spread of V–F bond distances ranging from 1.96–2.02 Å. In the sixth V+3.25+ site, V+3.25+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedra tilt angles range from 27–32°. There are a spread of V–F bond distances ranging from 1.97–1.99 Å. In the seventh V+3.25+ site, V+3.25+ is bonded to one O2- and five F1- atoms to form corner-sharing VOF5 octahedra. The corner-sharing octahedra tilt angles range from 26–34°. The V–O bond length is 1.68 Å. There are a spread of V–F bond distances ranging from 1.97–2.03 Å. In the eighth V+3.25+ site, V+3.25+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedra tilt angles range from 30–36°. There are a spread of V–F bond distances ranging from 1.95–1.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. There are twenty-two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the eighth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the ninth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the tenth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the eleventh F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the twelfth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the thirteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the fourteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the fifteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the sixteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the seventeenth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the eighteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the nineteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the twentieth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the twenty-first F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the twenty-second F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms.