Materials Data on V(PO3)2 by Materials Project

Abstract

V(PO3)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two V(PO3)2 ribbons oriented in the (1, 0, 1) direction. V2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.66–2.00 Å. P5+ is bonded in a water-like geometry to two O2- atoms. There is one shorter (1.52 Å) and one longer (1.54 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one V2+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one V2+ and one P5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one V2+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one V2+ atom.