Materials Data on Pb3ClO3 by Materials Project

Abstract

(Pb6O6Cl)2Cl2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is two-dimensional and consists of two hydrochloric acid molecules and one Pb6O6Cl sheet oriented in the (0, 1, 0) direction. In the Pb6O6Cl sheet, there are six inequivalent Pb sites. In the first Pb site, Pb is bonded in a distorted T-shaped geometry to three O atoms. There are one shorter (2.17 Å) and two longer (2.40 Å) Pb–O bond lengths. In the second Pb site, Pb is bonded in a 4-coordinate geometry to four O atoms. There are two shorter (2.41 Å) and two longer (2.44 Å) Pb–O bond lengths. In the third Pb site, Pb is bonded in a 3-coordinate geometry to three O atoms. There are one shorter (2.15 Å) and two longer (2.49 Å) Pb–O bond lengths. In the fourth Pb site, Pb is bonded in a distorted trigonal bipyramidal geometry to four O and one Cl atom. All Pb–O bond lengths are 2.18 Å. The Pb–Cl bond length is 2.60 Å. In the fifth Pb site, Pb is bonded in a 3-coordinate geometry to three O atoms. There are one shorter (2.16 Å) and two longer (2.42 Å) Pb–O bond lengths. In the sixth Pb site, Pb is bonded in a distorted T-shaped geometry to three O atoms. There are one shorter (2.18 Å) and two longer (2.35 Å) Pb–O bond lengths. There are four inequivalent O sites. In the first O site, O is bonded to four Pb atoms to form a mixture of edge and corner-sharing OPb4 tetrahedra. In the second O site, O is bonded to four Pb atoms to form a mixture of edge and corner-sharing OPb4 tetrahedra. In the third O site, O is bonded in a linear geometry to two Pb atoms. In the fourth O site, O is bonded in a bent 150 degrees geometry to two Pb atoms. Cl is bonded in a single-bond geometry to one Pb atom.