Materials Data on Pb2Cl3O by Materials Project

Abstract

Pb2OCl3 crystallizes in the hexagonal P-6 space group. The structure is one-dimensional and consists of one Pb2OCl3 ribbon oriented in the (0, 0, 1) direction. there are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a distorted bent 120 degrees geometry to two equivalent O and four Cl atoms. Both Pb–O bond lengths are 2.30 Å. There are a spread of Pb–Cl bond distances ranging from 2.95–3.07 Å. In the second Pb site, Pb is bonded in a 5-coordinate geometry to one O and four Cl atoms. The Pb–O bond length is 2.39 Å. There are two shorter (2.84 Å) and two longer (2.99 Å) Pb–Cl bond lengths. O is bonded in a trigonal planar geometry to three Pb atoms. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a 3-coordinate geometry to three Pb atoms. In the second Cl site, Cl is bonded in a distorted L-shaped geometry to two equivalent Pb atoms. In the third Cl site, Cl is bonded in a trigonal non-coplanar geometry to three Pb atoms.