Materials Data on SbIrC2(OF3)2 by Materials Project

Abstract

Ir2F(CO)4Sb2F11 crystallizes in the tetragonal P-4n2 space group. The structure is zero-dimensional and consists of sixteen formaldehyde molecules, four Ir2F clusters, and four Sb2F11 clusters. In each Ir2F cluster, Ir5+ is bonded in a distorted single-bond geometry to one F1- atom. The Ir–F bond length is 2.09 Å. F1- is bonded in a water-like geometry to two equivalent Ir5+ atoms. In each Sb2F11 cluster, Sb3- is bonded to six F1- atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are a spread of Sb–F bond distances ranging from 1.89–2.09 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Sb3- atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Sb3- atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Sb3- atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb3- atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Sb3- atom.