Materials Data on Ge(PbS2)2 by Materials Project
Pb2GeS4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Pb–S bond distances ranging from 2.82–3.55 Å. In the second Pb2+ site, Pb2+ is bonded to seven S2- atoms to form distorted PbS7 pentagonal bipyramids that share corners with four equivalent PbS7 pentagonal bipyramids, a cornercorner with one GeS4 tetrahedra, an edgeedge with one PbS7 pentagonal bipyramid, and edges with three equivalent GeS4 tetrahedra. There are a spread of Pb–S bond distances ranging from 2.85–3.49 Å. Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share a cornercorner with one PbS7 pentagonal bipyramid and edges with three equivalent PbS7 pentagonal bipyramids. There are a spread of Ge–S bond distances ranging from 2.22–2.25 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to four Pb2+ and one Ge4+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to three Pb2+ and one Ge4+ atom. In the third S2- site, S2- is bonded in a 1-coordinate geometry to three Pb2+ and one Ge4+ atom. In the fourth S2- site, S2- is bonded in a distorted single-bond geometry to three Pb2+ and one Ge4+ atom.