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. There is two shorter (1.73 Å) and two longer (1.78 Å) V–O bond length. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a distorted square co-planar geometry to four equivalent O2- and two equivalent Cl1- atoms. All Cu–O bond lengths are 1.97 Å. Both Cu–Cl bond lengths are 3.06 Å. In the second Cu2+ site, Cu2+ is bonded in a 4-coordinate geometry to four O2- and two equivalent Cl1- atoms. There is two shorter (1.94 Å) and two longer (1.99 Å) Cu–O bond length. There are one shorter (2.77 Å) and one longer (2.98 Å) Cu–Cl bond lengths. 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 3.04 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one V5+ and two Cu2+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V5+, one Cu2+, and one Pb2+ atom. Cl1- is bonded in a 1-coordinate geometry to three Cu2+ and two equivalent Pb2+ atoms.