Materials Data on Pb2CO6 by Materials Project

Abstract

PbCO4PbO2 crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three PbCO4 sheets oriented in the (0, 0, 1) direction and three PbO2 sheets oriented in the (0, 0, 1) direction. In each PbCO4 sheet, Pb4+ is bonded to seven O2- atoms to form corner-sharing PbO7 hexagonal pyramids. There are one shorter (2.16 Å) and six longer (2.45 Å) Pb–O bond lengths. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.29 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Pb4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to two equivalent Pb4+ and one C4+ atom. In each PbO2 sheet, Pb4+ is bonded in a distorted single-bond geometry to four O2- atoms. There are one shorter (2.13 Å) and three longer (2.83 Å) Pb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Pb4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Pb4+ atoms.