Materials Data on OsO3F2 by Materials Project

Abstract

OsO3F2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two OsO3F2 ribbons oriented in the (0, 1, 0) direction. Os8+ is bonded to three O2- and three F1- atoms to form distorted corner-sharing OsO3F3 octahedra. The corner-sharing octahedral tilt angles are 34°. All Os–O bond lengths are 1.71 Å. There are a spread of Os–F bond distances ranging from 1.91–2.20 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Os8+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Os8+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Os8+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Os8+ atom. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Os8+ atoms.