Materials Data on V2O2F3 by Materials Project

Abstract

V2O2F3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. V+3.50+ is bonded to three equivalent O2- and three F1- atoms to form a mixture of corner and edge-sharing VO3F3 octahedra. The corner-sharing octahedra tilt angles range from 22–36°. There is two shorter (1.90 Å) and one longer (2.07 Å) V–O bond length. There are a spread of V–F bond distances ranging from 1.93–2.05 Å. O2- is bonded in a distorted T-shaped geometry to three equivalent V+3.50+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent V+3.50+ atoms. In the second F1- site, F1- is bonded in a water-like geometry to two equivalent V+3.50+ atoms.