Materials Data on Pb4S2O7 by Materials Project
Pb4SO7S crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two hydrogen sulfide molecules and one Pb4SO7 sheet oriented in the (0, 0, 1) direction. In the Pb4SO7 sheet, there are four inequivalent Pb+2.50+ sites. In the first Pb+2.50+ site, Pb+2.50+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.29–2.44 Å. In the second Pb+2.50+ site, Pb+2.50+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.31–2.42 Å. In the third Pb+2.50+ site, Pb+2.50+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.28–2.36 Å. In the fourth Pb+2.50+ site, Pb+2.50+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.29–2.91 Å. S2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.46–1.50 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S2+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Pb+2.50+ and one S2+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Pb+2.50+ and one S2+ atom. In the fourth O2- site, O2- is bonded to four Pb+2.50+ atoms to form a mixture of distorted edge and corner-sharing OPb4 tetrahedra. In the fifth O2- site, O2- is bonded to four Pb+2.50+ atoms to form a mixture of distorted edge and corner-sharing OPb4 tetrahedra. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Pb+2.50+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to three Pb+2.50+ atoms.