Materials Data on V2Cu3Pb(ClO4)2 by Materials Project

Abstract

V2Cu3Pb(O4Cl)2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. V5+ is bonded in a tetrahedral geometry to four O2- atoms. All V–O bond lengths are 1.75 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.86 Å. In the second Cu2+ site, Cu2+ is bonded in a trigonal planar geometry to two equivalent O2- and one Cl1- atom. Both Cu–O bond lengths are 1.90 Å. The Cu–Cl bond length is 2.23 Å. Pb2+ is bonded in a 8-coordinate geometry to four equivalent O2- and four equivalent Cl1- atoms. All Pb–O bond lengths are 2.66 Å. All Pb–Cl bond lengths are 3.06 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V5+, one Cu2+, and one Pb2+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one Cu2+ atom. Cl1- is bonded in a distorted single-bond geometry to one Cu2+ and two equivalent Pb2+ atoms.