Materials Data on Ag2F5 by Materials Project

Abstract

Ag2F5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are six inequivalent Ag+2.50+ sites. In the first Ag+2.50+ site, Ag+2.50+ is bonded in a distorted square co-planar geometry to four F1- atoms. There are two shorter (2.05 Å) and two longer (2.13 Å) Ag–F bond lengths. In the second Ag+2.50+ site, Ag+2.50+ is bonded to six F1- atoms to form distorted corner-sharing AgF6 octahedra. The corner-sharing octahedra tilt angles range from 31–49°. There are a spread of Ag–F bond distances ranging from 2.04–2.62 Å. In the third Ag+2.50+ site, Ag+2.50+ is bonded to six F1- atoms to form corner-sharing AgF6 octahedra. The corner-sharing octahedra tilt angles range from 26–64°. There are a spread of Ag–F bond distances ranging from 2.08–2.37 Å. In the fourth Ag+2.50+ site, Ag+2.50+ is bonded in a square co-planar geometry to four F1- atoms. There is two shorter (1.96 Å) and two longer (2.00 Å) Ag–F bond length. In the fifth Ag+2.50+ site, Ag+2.50+ is bonded to six F1- atoms to form distorted corner-sharing AgF6 octahedra. The corner-sharing octahedra tilt angles range from 26–64°. There are a spread of Ag–F bond distances ranging from 2.00–2.73 Å. In the sixth Ag+2.50+ site, Ag+2.50+ is bonded in a square co-planar geometry to four F1- atoms. There are a spread of Ag–F bond distances ranging from 1.95–2.00 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to two Ag+2.50+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to two Ag+2.50+ atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one Ag+2.50+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Ag+2.50+ atoms. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two Ag+2.50+ atoms. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to two Ag+2.50+ atoms. In the seventh F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Ag+2.50+ atoms. In the eighth F1- site, F1- is bonded in a bent 150 degrees geometry to two Ag+2.50+ atoms. In the ninth F1- site, F1- is bonded in a distorted trigonal planar geometry to three Ag+2.50+ atoms. In the tenth F1- site, F1- is bonded in a distorted single-bond geometry to two Ag+2.50+ atoms.