Materials Data on PbS by Materials Project

Abstract

PbS crystallizes in the orthorhombic Cmc2_1 space group. The structure is two-dimensional and consists of two PbS sheets oriented in the (0, 0, 1) direction. there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded to five S2- atoms to form a mixture of distorted corner and edge-sharing PbS5 square pyramids. There are a spread of Pb–S bond distances ranging from 2.69–3.06 Å. In the second Pb2+ site, Pb2+ is bonded to five S2- atoms to form a mixture of distorted corner and edge-sharing PbS5 square pyramids. There are a spread of Pb–S bond distances ranging from 2.69–3.01 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a single-bond geometry to five Pb2+ atoms. In the second S2- site, S2- is bonded in a single-bond geometry to five Pb2+ atoms.