Materials Data on VPbOF5 by Materials Project

Abstract

VPbOF5 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. V5+ is bonded in a distorted octahedral geometry to one O2- and five F1- atoms. The V–O bond length is 1.60 Å. There are four shorter (1.87 Å) and one longer (2.16 Å) V–F bond lengths. Pb2+ is bonded in a 6-coordinate geometry to six F1- atoms. There are two shorter (2.52 Å) and four longer (2.53 Å) Pb–F bond lengths. O2- is bonded in a single-bond geometry to one V5+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to one V5+ and two equivalent Pb2+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one V5+ and one Pb2+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one V5+ and one Pb2+ atom.