Materials Data on Li2AgF4 by Materials Project

Abstract

Li2AgF4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four F1- atoms to form distorted edge-sharing LiF4 tetrahedra. There are a spread of Li–F bond distances ranging from 1.96–1.98 Å. In the second Li1+ site, Li1+ is bonded to four equivalent F1- atoms to form distorted edge-sharing LiF4 tetrahedra. There is two shorter (1.96 Å) and two longer (1.97 Å) Li–F bond length. Ag2+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. There are one shorter (2.10 Å) and three longer (2.11 Å) Ag–F bond lengths. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal non-coplanar geometry to two equivalent Li1+ and one Ag2+ atom. In the second F1- site, F1- is bonded in a trigonal non-coplanar geometry to two equivalent Li1+ and one Ag2+ atom. There is one shorter (1.96 Å) and one longer (1.97 Å) F–Li bond length. In the third F1- site, F1- is bonded in a trigonal non-coplanar geometry to two equivalent Li1+ and one Ag2+ atom. In the fourth F1- site, F1- is bonded in a trigonal non-coplanar geometry to two equivalent Li1+ and one Ag2+ atom.