Materials Data on Li2AgF5 by Materials Project

Abstract

Li2AgF5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 2-coordinate geometry to five F1- atoms. There are a spread of Li–F bond distances ranging from 1.74–2.40 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Li–F bond distances ranging from 1.42–2.03 Å. There are two inequivalent Ag3+ sites. In the first Ag3+ site, Ag3+ is bonded in a distorted square co-planar geometry to four F1- atoms. There is two shorter (1.38 Å) and two longer (2.02 Å) Ag–F bond length. In the second Ag3+ site, Ag3+ is bonded in a 2-coordinate geometry to four F1- atoms. There are two shorter (1.82 Å) and two longer (2.19 Å) Ag–F bond lengths. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to two Li1+ and one Ag3+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to two Li1+ and one Ag3+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to two Li1+ and one Ag3+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Li1+ and one Ag3+ atom. In the fifth F1- site, F1- is bonded in a water-like geometry to two Li1+ atoms.