Materials Data on VPO7 by Materials Project

Abstract

VPO7 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one VPO7 sheet oriented in the (1, 0, 0) direction. V is bonded in a 4-coordinate geometry to five O atoms. There are a spread of V–O bond distances ranging from 1.63–2.75 Å. P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.47–1.59 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.23 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one V and one P atom. In the third O site, O is bonded in a bent 120 degrees geometry to one V and one P atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one V and one P atom. In the fifth O site, O is bonded in a single-bond geometry to one P atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one V and one O atom. In the seventh O site, O is bonded in a distorted single-bond geometry to one V atom.