Materials Data on WN2(OF4)2 by Materials Project

Abstract

WF8(NO)2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight nitroxyl molecules and four WF8 clusters. In each WF8 cluster, W6+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of W–F bond distances ranging from 1.95–2.01 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one W6+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one W6+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one W6+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one W6+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one W6+ atom.