Materials Data on VIO7 by Materials Project

Abstract

IVO7 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four hydrogen peroxide molecules and two VO5I ribbons oriented in the (1, 0, 0) direction. In each VO5I ribbon, V is bonded to five O atoms to form distorted corner-sharing VO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.61–2.08 Å. There are five inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to two equivalent V atoms. In the second O site, O is bonded in a bent 120 degrees geometry to one V and one I atom. The O–I bond length is 1.88 Å. In the third O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.78 Å. In the fourth O site, O is bonded in a single-bond geometry to one V atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to one V and one I atom. The O–I bond length is 1.85 Å. I is bonded in a trigonal non-coplanar geometry to three O atoms.