Materials Data on SbC2SCl3O by Materials Project

Abstract

C2SbSOCl3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four C2SbSOCl3 clusters. there are four inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a single-bond geometry to one C4+ atom. The C–C bond length is 1.30 Å. In the second C4+ site, C4+ is bonded in a bent 150 degrees geometry to one C4+ and one S2- atom. The C–S bond length is 1.61 Å. In the third C4+ site, C4+ is bonded in a single-bond geometry to one C4+ atom. The C–C bond length is 1.30 Å. In the fourth C4+ site, C4+ is bonded in a bent 150 degrees geometry to one C4+ and one S2- atom. The C–S bond length is 1.60 Å. There are two inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a 6-coordinate geometry to two O2- and four Cl1- atoms. There are one shorter (2.72 Å) and one longer (2.76 Å) Sb–O bond lengths. There are a spread of Sb–Cl bond distances ranging from 2.43–3.13 Å. In the second Sb1- site, Sb1- is bonded in a 3-coordinate geometry to three Cl1- atoms. There are a spread of Sb–Cl bond distances ranging from 2.37–2.46 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to one C4+ and one O2- atom. The S–O bond length is 1.50 Å. In the second S2- site, S2- is bonded in a distorted single-bond geometry to one C4+ and one O2- atom. The S–O bond length is 1.49 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Sb1- and one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Sb1- and one S2- atom. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb1- atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Sb1- atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb1- atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb1- atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to two Sb1- atoms. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb1- atom.