Materials Data on AsClOF8 by Materials Project

Abstract

AsF6OClF2 crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four AsF6 clusters and four OClF2 clusters. In each AsF6 cluster, As is bonded in an octahedral geometry to six F atoms. There are a spread of As–F bond distances ranging from 1.75–1.81 Å. There are six inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one As atom. In the second F site, F is bonded in a single-bond geometry to one As atom. In the third F site, F is bonded in a single-bond geometry to one As atom. In the fourth F site, F is bonded in a single-bond geometry to one As atom. In the fifth F site, F is bonded in a single-bond geometry to one As atom. In the sixth F site, F is bonded in a single-bond geometry to one As atom. In each OClF2 cluster, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.39 Å. Cl is bonded in a trigonal non-coplanar geometry to one O and two F atoms. Both Cl–F bond lengths are 1.63 Å. There are two inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Cl atom. In the second F site, F is bonded in a single-bond geometry to one Cl atom.