Materials Data on Au3F8 by Materials Project

Abstract

Au3F8 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Au+2.67+ sites. In the first Au+2.67+ site, Au+2.67+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are a spread of Au–F bond distances ranging from 1.95–2.02 Å. In the second Au+2.67+ site, Au+2.67+ is bonded in a distorted octahedral geometry to six F1- atoms. There are a spread of Au–F bond distances ranging from 2.15–2.78 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two Au+2.67+ atoms. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to two Au+2.67+ atoms. In the third F1- site, F1- is bonded in a bent 120 degrees geometry to two Au+2.67+ atoms. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Au+2.67+ atom.