Materials Data on H4Pb(CO3)2 by Materials Project

Abstract

PbC2H2O5H2O crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional and consists of four water molecules and one PbC2H2O5 framework. In the PbC2H2O5 framework, Pb2+ is bonded in a 7-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.48–3.02 Å. C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.27 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to two equivalent Pb2+ and one C3+ atom. In the second O2- site, O2- is bonded in a water-like geometry to two equivalent Pb2+ and two equivalent H1+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Pb2+ and one C3+ atom.