Materials Data on PbS by Materials Project

Abstract

PbS crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a rectangular see-saw-like geometry to four S2- atoms. There are a spread of Pb–S bond distances ranging from 2.73–3.08 Å. In the second Pb2+ site, Pb2+ is bonded to six S2- atoms to form a mixture of distorted edge and corner-sharing PbS6 octahedra. The corner-sharing octahedral tilt angles are 11°. There are a spread of Pb–S bond distances ranging from 2.76–3.48 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to five Pb2+ atoms to form a mixture of edge and corner-sharing SPb5 trigonal bipyramids. In the second S2- site, S2- is bonded in a 5-coordinate geometry to five Pb2+ atoms.