Materials Data on V4O9 by Materials Project

Abstract

V4O9 crystallizes in the tetragonal P4/n space group. The structure is two-dimensional and consists of one V4O9 sheet oriented in the (0, 0, 1) direction. V+4.50+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.61–2.10 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted square co-planar geometry to four equivalent V+4.50+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one V+4.50+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent V+4.50+ atoms.