Materials Data on Li2AgF3 by Materials Project

Abstract

Li2AgF3 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form a mixture of corner and edge-sharing LiF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.05 Å) and three longer (2.08 Å) Li–F bond lengths. Ag1+ is bonded in a 6-coordinate geometry to six equivalent F1- atoms. All Ag–F bond lengths are 2.52 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to three equivalent Li1+ and three equivalent Ag1+ atoms to form a mixture of distorted corner and edge-sharing FLi3Ag3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the second F1- site, F1- is bonded to six equivalent Li1+ atoms to form a mixture of corner and edge-sharing FLi6 octahedra. The corner-sharing octahedral tilt angles are 1°.