Materials Data on H6PbC2S2O7 by Materials Project

Abstract

(CH3)2PbS2O7 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of eight methane molecules and one PbS2O7 ribbon oriented in the (0, 1, 0) direction. In the PbS2O7 ribbon, there are two inequivalent Pb4+ sites. In the first Pb4+ site, Pb4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.53–2.80 Å. In the second Pb4+ site, Pb4+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.50–2.70 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.48 Å) and one longer (1.49 Å) S–O bond length. In the second S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.47–1.50 Å. In the third S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. All S–O bond lengths are 1.48 Å. In the fourth S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.47–1.49 Å. There are fourteen 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 S2- atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Pb4+ and one S2- atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Pb4+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Pb4+ and one S2- atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Pb4+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one Pb4+ and one S2- atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to two Pb4+ and one S2- atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to one Pb4+ and one S2- atom. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to one Pb4+ and one S2- atom. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to one Pb4+ and one S2- atom. In the thirteenth O2- site, O2- is bonded in a distorted single-bond geometry to one Pb4+ and one S2- atom. In the fourteenth O2- site, O2- is bonded in a single-bond geometry to one Pb4+ and one S2- atom.