Materials Data on WN2(OF4)2 by Materials Project

Abstract

WOF7NONF crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four monofluoroamine molecules; four nitroxyl molecules; and two WOF7 ribbons oriented in the (1, 0, 0) direction. In each WOF7 ribbon, W6+ is bonded in a distorted pentagonal bipyramidal geometry to seven F1- atoms. There is three shorter (1.92 Å) and four longer (1.95 Å) W–F bond length. O2- is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of O–F bond distances ranging from 2.49–2.92 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one W6+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one W6+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one W6+ and one O2- atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one W6+ and two equivalent O2- atoms.