Materials Data on VMoO5 by Materials Project

Abstract

VMoO5 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one VMoO5 sheet oriented in the (0, 1, 0) direction. V4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.61–2.02 Å. Mo6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.03 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one V4+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one V4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one V4+ and two equivalent Mo6+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent V4+ and one Mo6+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom.