Materials Data on IrS2Cl3O7 by Materials Project
IrSO4Cl3SO3 crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two sulfur trioxide molecules and two IrSO4Cl3 clusters. In each IrSO4Cl3 cluster, Ir5+ is bonded in a distorted trigonal bipyramidal geometry to two O2- and three Cl1- atoms. There is one shorter (1.78 Å) and one longer (2.18 Å) Ir–O bond length. There are one shorter (2.24 Å) and two longer (2.30 Å) Ir–Cl bond lengths. S6+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There is one shorter (1.47 Å) and two longer (1.64 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Ir5+ and one S6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Ir5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one S6+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ir5+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Ir5+ atom.