Materials Data on HgAsF7 by Materials Project

Abstract

HgFAsF6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Hg2+ is bonded in a 2-coordinate geometry to eight F1- atoms. There are a spread of Hg–F bond distances ranging from 2.13–2.93 Å. As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.76–1.79 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Hg2+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Hg2+ and one As5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Hg2+ and one As5+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Hg2+ and one As5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Hg2+ and one As5+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to one Hg2+ and one As5+ atom. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to one Hg2+ and one As5+ atom.