Materials Data on V2Se2O13 by Materials Project

Abstract

(VSeO5)4(O2)3 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of four trioxidane molecules and four VSeO5 ribbons oriented in the (0, 1, 0) direction. In each VSeO5 ribbon, V is bonded in a tetrahedral geometry to four O atoms. There are a spread of V–O bond distances ranging from 1.63–1.84 Å. Se is bonded in a distorted see-saw-like geometry to four O atoms. There are a spread of Se–O bond distances ranging from 1.70–2.24 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one V and one Se atom. In the second O site, O is bonded in a single-bond geometry to one V atom. In the third O site, O is bonded in a single-bond geometry to one Se atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to one V and one Se atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one V and one Se atom.