Materials Data on Hg2AsF6 by Materials Project

Abstract

Hg2AsF6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a square co-planar geometry to four F1- atoms. All Hg–F bond lengths are 2.81 Å. In the second Hg2+ site, Hg2+ is bonded in a square co-planar geometry to four F1- atoms. There are two shorter (2.81 Å) and two longer (2.82 Å) Hg–F bond lengths. As2+ is bonded in an octahedral geometry to six F1- atoms. There is two shorter (1.76 Å) and four longer (1.78 Å) As–F bond length. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Hg2+ and one As2+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to two Hg2+ and one As2+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As2+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Hg2+ and one As2+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Hg2+ and one As2+ atom. Both F–Hg bond lengths are 2.82 Å. The F–As bond length is 1.78 Å.