Materials Data on H2PbCl2O7 by Materials Project

Abstract

PbH2O7Cl2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four PbH2O7Cl2 clusters. Pb is bonded in a 3-coordinate geometry to three O atoms. There are one shorter (2.42 Å) and two longer (2.64 Å) Pb–O bond lengths. H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. There are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.50 Å. In the second O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.51 Å. In the third O site, O is bonded in a distorted water-like geometry to one Pb and two equivalent H atoms. In the fourth O site, O is bonded in a distorted single-bond geometry to one Pb and one Cl atom. The O–Cl bond length is 1.53 Å. Cl is bonded in a trigonal non-coplanar geometry to three O atoms.