Materials Data on AlSCl3O2 by Materials Project

Abstract

AlSO2Cl3 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one AlSO2Cl3 cluster. Al3+ is bonded in a tetrahedral geometry to two O2- and two Cl1- atoms. There is one shorter (1.81 Å) and one longer (1.83 Å) Al–O bond length. Both Al–Cl bond lengths are 2.11 Å. S4+ is bonded in a distorted trigonal non-coplanar geometry to two O2- and one Cl1- atom. Both S–O bond lengths are 1.52 Å. The S–Cl bond length is 2.10 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one S4+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one S4+ atom. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one S4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Al3+ atom.