Materials Data on Pb2CCl2O3 by Materials Project

Abstract

Pb2Cl2CO3 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Pb2+ is bonded in a 1-coordinate geometry to four O2- and five Cl1- atoms. There are a spread of Pb–O bond distances ranging from 2.39–2.73 Å. There are a spread of Pb–Cl bond distances ranging from 3.07–3.40 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.29 Å) and one longer (1.32 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one C4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Pb2+ and one C4+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted rectangular see-saw-like geometry to four equivalent Pb2+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to six equivalent Pb2+ atoms.