Materials Data on Sb2IrC3O3F13 by Materials Project

Abstract

IrSb2F13(CO)3 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of six formaldehyde molecules and two IrSb2F13 clusters. In each IrSb2F13 cluster, Ir5+ is bonded in a T-shaped geometry to three F1- atoms. There are a spread of Ir–F bond distances ranging from 1.95–2.10 Å. There are two inequivalent Sb1+ sites. In the first Sb1+ site, Sb1+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.89–2.09 Å. In the second Sb1+ site, Sb1+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.90–2.08 Å. There are thirteen inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one Ir5+ and one Sb1+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb1+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb1+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Sb1+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb1+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb1+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Ir5+ atom. In the eighth F1- site, F1- is bonded in a bent 150 degrees geometry to one Ir5+ and one Sb1+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Sb1+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one Sb1+ atom. In the eleventh F1- site, F1- is bonded in a single-bond geometry to one Sb1+ atom. In the twelfth F1- site, F1- is bonded in a single-bond geometry to one Sb1+ atom. In the thirteenth F1- site, F1- is bonded in a single-bond geometry to one Sb1+ atom.