Materials Data on PbS2O3 by Materials Project

Abstract

PbS2O3 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of eight hydrogen sulfide molecules and two PbSO3 sheets oriented in the (0, 0, 1) direction. In each PbSO3 sheet, Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.66–3.25 Å. S2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.47 Å) and two longer (1.49 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one S2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one S2+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one S2+ atom.