Materials Data on LiAg2F6 by Materials Project

Abstract

LiAg2F6 crystallizes in the trigonal P321 space group. The structure is three-dimensional. Li1+ is bonded in a trigonal planar geometry to three equivalent F1- atoms. All Li–F bond lengths are 1.88 Å. Ag+2.50+ is bonded to six F1- atoms to form corner-sharing AgF6 octahedra. The corner-sharing octahedra tilt angles range from 44–46°. There are three shorter (2.12 Å) and three longer (2.18 Å) Ag–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Ag+2.50+ atoms. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Ag+2.50+ atoms.