Materials Data on CuPb2(ClO2)2 by Materials Project

Abstract

CuPb2(O2Cl)2 crystallizes in the tetragonal P4mm space group. The structure is two-dimensional and consists of one CuPb2(O2Cl)2 sheet oriented in the (0, 0, 1) direction. Cu2+ is bonded in a 4-coordinate geometry to four equivalent O2- and one Cl1- atom. All Cu–O bond lengths are 1.84 Å. The Cu–Cl bond length is 2.67 Å. Pb4+ is bonded in a 4-coordinate geometry to four equivalent O2- and two equivalent Cl1- atoms. All Pb–O bond lengths are 2.27 Å. Both Pb–Cl bond lengths are 3.14 Å. O2- is bonded in a 3-coordinate geometry to one Cu2+ and two equivalent Pb4+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Cu2+ atom. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four equivalent Pb4+ atoms.