Materials Data on VIO7 by Materials Project

Abstract

IVO7 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one IVO7 sheet oriented in the (0, 0, 1) direction. V is bonded in a 4-coordinate geometry to six O atoms. There are a spread of V–O bond distances ranging from 1.61–2.80 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 two equivalent V atoms. In the third O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.79 Å. In the fourth O site, O is bonded in a 3-coordinate geometry to one V and two equivalent I atoms. There are one shorter (1.88 Å) and one longer (2.37 Å) O–I bond lengths. In the fifth O site, O is bonded in a single-bond geometry to one V 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 bent 150 degrees geometry to one V and one I atom. The O–I bond length is 1.96 Å. I is bonded in a 4-coordinate geometry to four O atoms.