Materials Data on XeNO2F5 by Materials Project
XeOF5NO crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four nitroxyl molecules and four XeOF5 clusters. In each XeOF5 cluster, Xe is bonded in a pentagonal pyramidal geometry to one O and five F atoms. The Xe–O bond length is 1.83 Å. There are a spread of Xe–F bond distances ranging from 2.07–2.17 Å. O is bonded in a single-bond geometry to one Xe atom. There are five inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Xe atom. In the second F site, F is bonded in a single-bond geometry to one Xe atom. In the third F site, F is bonded in a single-bond geometry to one Xe atom. In the fourth F site, F is bonded in a single-bond geometry to one Xe atom. In the fifth F site, F is bonded in a single-bond geometry to one Xe atom.