Materials Data on V(ClO2)3 by Materials Project

Abstract

V(O2Cl)3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two V(O2Cl)3 sheets oriented in the (0, 0, 1) direction. V is bonded in a distorted octahedral geometry to four O and two equivalent Cl atoms. All V–O bond lengths are 1.82 Å. Both V–Cl bond lengths are 2.52 Å. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.56 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one V and one Cl atom. The O–Cl bond length is 1.81 Å. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one V and one Cl atom. The O–Cl bond length is 1.91 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a square co-planar geometry to four O atoms. In the second Cl site, Cl is bonded in a bent 120 degrees geometry to one V and one O atom.