Materials Data on AsClF8 by Materials Project

Abstract

AsClF8 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two AsClF8 ribbons oriented in the (0, 0, 1) direction. As is bonded in an octahedral geometry to six F atoms. There are a spread of As–F bond distances ranging from 1.75–1.84 Å. Cl is bonded in a distorted square co-planar geometry to four F atoms. There is two shorter (1.61 Å) and two longer (2.22 Å) Cl–F bond length. There are four 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 As atom. In the third F site, F is bonded in a distorted single-bond geometry to one As and one Cl atom. In the fourth F site, F is bonded in a single-bond geometry to one As atom.