Materials Data on V2OF8 by Materials Project
V2OF8 crystallizes in the monoclinic P2/c space group. The structure is one-dimensional and consists of two V2OF8 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to one O2- and five F1- atoms to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles are 46°. The V–O bond length is 2.04 Å. There are a spread of V–F bond distances ranging from 1.74–2.02 Å. In the second V5+ site, V5+ is bonded in a 6-coordinate geometry to one O2- and five F1- atoms. The V–O bond length is 1.66 Å. There are a spread of V–F bond distances ranging from 1.75–2.17 Å. O2- is bonded in a distorted linear geometry to two V5+ atoms. There are nine inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two equivalent V5+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one V5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one V5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one V5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one V5+ atom. In the sixth F1- site, F1- is bonded in a distorted L-shaped geometry to two equivalent V5+ atoms. In the seventh F1- site, F1- is bonded in a single-bond geometry to one V5+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one V5+ atom. In the ninth F1- site, F1- is bonded in an L-shaped geometry to two equivalent V5+ atoms.