Materials Data on VSO8 by Materials Project

Abstract

VO2SO4O2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four oxygen molecules and two VO2SO4 clusters. In each VO2SO4 cluster, V is bonded to four O atoms to form VO4 tetrahedra that share corners with two equivalent SO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.63–1.90 Å. S is bonded to four O atoms to form SO4 tetrahedra that share corners with two equivalent VO4 tetrahedra. There are a spread of S–O bond distances ranging from 1.44–1.56 Å. There are six inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one V and one S atom. In the second O site, O is bonded in a bent 150 degrees geometry to one V and one S atom. In the third O site, O is bonded in a single-bond geometry to one S atom. 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 single-bond geometry to one V atom. In the sixth O site, O is bonded in a single-bond geometry to one S atom.