Materials Data on Ir2Pt(NCl)10 by Materials Project
PtCl6(IrN5Cl2)2 is Krennerite-like structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four IrN5Cl2 clusters and two PtCl6 clusters. In each IrN5Cl2 cluster, Ir5+ is bonded in a 6-coordinate geometry to five N+0.60- and one Cl1- atom. There are a spread of Ir–N bond distances ranging from 1.80–2.31 Å. The Ir–Cl bond length is 2.44 Å. There are three inequivalent N+0.60- sites. In the first N+0.60- site, N+0.60- is bonded in an L-shaped geometry to one Ir5+ and one Cl1- atom. The N–Cl bond length is 1.54 Å. In the second N+0.60- site, N+0.60- is bonded in a single-bond geometry to one Ir5+ atom. In the third N+0.60- site, N+0.60- is bonded in a single-bond geometry to one Ir5+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two equivalent N+0.60- atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ir5+ atom. In each PtCl6 cluster, Pt6+ is bonded in an octahedral geometry to six Cl1- atoms. There are two shorter (2.33 Å) and four longer (2.34 Å) Pt–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt6+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Pt6+ atom. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Pt6+ atom.