Materials Data on VAgOF4 by Materials Project

Abstract

VAgOF4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. V5+ is bonded in a distorted trigonal bipyramidal geometry to one O2- and four F1- atoms. The V–O bond length is 1.62 Å. There are a spread of V–F bond distances ranging from 1.83–1.87 Å. Ag1+ is bonded in a 6-coordinate geometry to one O2- and five F1- atoms. The Ag–O bond length is 2.36 Å. There are a spread of Ag–F bond distances ranging from 2.43–2.78 Å. O2- is bonded in a distorted single-bond geometry to one V5+ and one Ag1+ atom. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one V5+ and one Ag1+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to one V5+ and two equivalent Ag1+ atoms. In the third F1- site, F1- is bonded in a 1-coordinate geometry to one V5+ and one Ag1+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one V5+ and one Ag1+ atom.