Materials Data on AuXe2F17 by Materials Project

Abstract

Xe2AuF17 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four Xe2AuF17 clusters. there are two inequivalent Xe sites. In the first Xe site, Xe is bonded in a 6-coordinate geometry to six F atoms. There are a spread of Xe–F bond distances ranging from 1.98–2.30 Å. In the second Xe site, Xe is bonded in a 6-coordinate geometry to seven F atoms. There are a spread of Xe–F bond distances ranging from 1.97–2.62 Å. Au is bonded in an octahedral geometry to six F atoms. There are a spread of Au–F bond distances ranging from 1.93–1.98 Å. There are twelve inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Xe and one Au atom. In the second F site, F is bonded in a single-bond geometry to one Au 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 linear geometry to two Xe atoms. 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 single-bond geometry to one Xe atom. In the seventh F site, F is bonded in a single-bond geometry to one Xe atom. In the eighth F site, F is bonded in a single-bond geometry to one Au atom. In the ninth F site, F is bonded in a single-bond geometry to one Au atom. In the tenth F site, F is bonded in a single-bond geometry to one Xe atom. In the eleventh F site, F is bonded in a single-bond geometry to one Au atom. In the twelfth F site, F is bonded in a single-bond geometry to one Xe atom.