Materials Data on Os(OF)2 by Materials Project

Abstract

OsF4(OsO3F)2Os(OF)2 is Iron carbide-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two tetrafluoroosmium molecules, two Os(OF)2 clusters, and four OsO3F clusters. In each Os(OF)2 cluster, Os6+ is bonded in a tetrahedral geometry to two O2- and two F1- atoms. Both Os–O bond lengths are 1.70 Å. Both Os–F bond lengths are 1.90 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Os6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Os6+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Os6+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Os6+ atom. In each OsO3F cluster, Os6+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There are a spread of Os–O bond distances ranging from 1.72–1.75 Å. The Os–F bond length is 1.88 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Os6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Os6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Os6+ atom. F1- is bonded in a single-bond geometry to one Os6+ atom.