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Materials Data on AgAsF7 by Materials Project

AgFAsF6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ag2+ is bonded to seven F1- atoms to form AgF7 pentagonal bipyramids that share corners with three equivalent AsF6 octahedra, corners with two equivalent AgF7 pentagonal bipyramids, and an edgeedge with one AsF6 octahedra. The corner-sharing octahedra tilt angles range from 32–40°. There are a spread of Ag–F bond distances ranging from 2.04–2.48 Å. As5+ is bonded to six F1- atoms to form AsF6 octahedra that share corners with three equivalent AgF7 pentagonal bipyramids and an edgeedge with one AgF7 pentagonal bipyramid. There are a spread of As–F bond distances ranging from 1.74–1.79 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Ag2+ and one As5+ 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 1-coordinate geometry to one Ag2+ and one As5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the fifth F1- site, F1- is bonded in a distorted water-like geometry to one Ag2+ and one As5+ atom.

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