Materials Data on Li2AgF3 by Materials Project

Abstract

Li2AgF3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form a mixture of distorted edge, face, and corner-sharing LiF6 octahedra. The corner-sharing octahedra tilt angles range from 18–26°. There are a spread of Li–F bond distances ranging from 2.06–2.20 Å. Ag1+ is bonded in a trigonal planar geometry to three F1- atoms. There are one shorter (2.26 Å) and two longer (2.29 Å) Ag–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent Li1+ and one Ag1+ atom. In the second F1- site, F1- is bonded to four equivalent Li1+ and one Ag1+ atom to form distorted edge-sharing FLi4Ag square pyramids.