Materials Data on V3OF7 by Materials Project
V3OF7 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent V3+ sites. In the first V3+ site, V3+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedra tilt angles range from 3–32°. There are a spread of V–F bond distances ranging from 1.96–2.01 Å. In the second V3+ site, V3+ is bonded to one O2- and five F1- atoms to form distorted VOF5 octahedra that share corners with five VF6 octahedra and edges with two equivalent VOF5 octahedra. The corner-sharing octahedra tilt angles range from 27–32°. The V–O bond length is 1.81 Å. There are a spread of V–F bond distances ranging from 1.99–2.17 Å. O2- is bonded in a bent 150 degrees geometry to two equivalent V3+ atoms. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent V3+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two V3+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two V3+ atoms. In the fourth F1- site, F1- is bonded in a distorted T-shaped geometry to three equivalent V3+ atoms.