DOE OSTI2020
AgFAuF6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Au5+ is bonded to six F1- atoms to form AuF6 octahedra that share corners with three equivalent AgF7 pentagonal bipyramids and an edgeedge with one AgF7 pentagonal bipyramid. There are a spread of Au–F bond distances ranging from 1.93–1.99 Å. Ag2+ is bonded to seven F1- atoms to form AgF7 pentagonal bipyramids that share corners with three equivalent AuF6 octahedra, corners with two equivalent AgF7 pentagonal bipyramids, and an edgeedge with one AuF6 octahedra. The corner-sharing octahedra tilt angles range from 34–45°. There are a spread of Ag–F bond distances ranging from 2.04–2.46 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Au5+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Ag2+ atoms. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Au5+ and one Ag2+ atom. In the fourth F1- site, F1- is bonded in a distorted water-like geometry to one Au5+ and one Ag2+ atom. In the fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Au5+ and one Ag2+ atom.