Materials Data on PbC3S2N(O2F)2 by Materials Project
(C)3PbNS2(O2F)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of six methane molecules and two PbNS2(O2F)2 ribbons oriented in the (1, 0, 0) direction. In each PbNS2(O2F)2 ribbon, Pb4+ is bonded in a linear geometry to one N2- and one O2- atom. The Pb–N bond length is 2.57 Å. The Pb–O bond length is 2.67 Å. N2- is bonded in a distorted bent 120 degrees geometry to one Pb4+ and two S2- atoms. There is one shorter (1.60 Å) and one longer (1.63 Å) N–S bond length. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to one N2-, two O2-, and one F1- atom to form corner-sharing SNO2F tetrahedra. Both S–O bond lengths are 1.43 Å. The S–F bond length is 1.60 Å. In the second S2- site, S2- is bonded to one N2-, two O2-, and one F1- atom to form corner-sharing SNO2F tetrahedra. There is one shorter (1.43 Å) and one longer (1.45 Å) S–O bond length. The S–F bond length is 1.60 Å. There are four 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 single-bond geometry to one S2- atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one S2- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one S2- atom.