Materials Data on HXeF7 by Materials Project

Abstract

XeHF7 crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of eighteen XeHF7 clusters. Xe is bonded in an octahedral geometry to six F atoms. There are a spread of Xe–F bond distances ranging from 1.99–2.12 Å. H is bonded in a single-bond geometry to two F atoms. There is one shorter (0.96 Å) and one longer (1.65 Å) H–F bond length. There are seven 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 H 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. In the sixth F site, F is bonded in a distorted bent 120 degrees geometry to one Xe and one H atom. In the seventh F site, F is bonded in a single-bond geometry to one Xe atom.