Materials Data on SbPbS2 by Materials Project
PbSbS2 crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two PbSbS2 sheets oriented in the (0, 1, 0) direction. Pb2+ is bonded to five S atoms to form PbS5 square pyramids that share corners with four equivalent PbS5 square pyramids, edges with four equivalent PbS5 square pyramids, and edges with four equivalent SbS5 square pyramids. There are one shorter (2.88 Å) and four longer (2.95 Å) Pb–S bond lengths. Sb2- is bonded to five S atoms to form SbS5 square pyramids that share corners with four equivalent SbS5 square pyramids, edges with four equivalent PbS5 square pyramids, and edges with four equivalent SbS5 square pyramids. There are one shorter (2.54 Å) and four longer (2.92 Å) Sb–S bond lengths. There are two inequivalent S sites. In the first S site, S is bonded to one Pb2+ and four equivalent Sb2- atoms to form a mixture of edge and corner-sharing SSb4Pb square pyramids. In the second S site, S is bonded to four equivalent Pb2+ and one Sb2- atom to form distorted SSbPb4 square pyramids that share corners with four equivalent SSbPb4 square pyramids and edges with eight SSb4Pb square pyramids.