Materials Data on LiAg2F6 by Materials Project

Abstract

LiAg2F6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of Li–F bond distances ranging from 1.92–2.53 Å. There are two inequivalent Ag+2.50+ sites. In the first Ag+2.50+ site, Ag+2.50+ is bonded in a distorted rectangular see-saw-like geometry to six F1- atoms. There are a spread of Ag–F bond distances ranging from 1.98–2.63 Å. In the second Ag+2.50+ site, Ag+2.50+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Ag–F bond distances ranging from 2.07–2.50 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to one Li1+ and three Ag+2.50+ atoms. In the second F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Li1+ and one Ag+2.50+ atom. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one Ag+2.50+ atom. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent Ag+2.50+ atoms. In the fifth F1- site, F1- is bonded in a bent 120 degrees geometry to two Ag+2.50+ atoms. In the sixth F1- site, F1- is bonded in a 1-coordinate geometry to three Ag+2.50+ atoms.