Materials Data on Li2AgF5 by Materials Project

Abstract

Li2AgF5 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Li–F bond distances ranging from 1.86–2.45 Å. Ag3+ is bonded to six F1- atoms to form distorted corner-sharing AgF6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are a spread of Ag–F bond distances ranging from 1.97–2.42 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded to three equivalent Li1+ and one Ag3+ atom to form a mixture of distorted edge and corner-sharing FLi3Ag trigonal pyramids. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one Ag3+ atom. In the third F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Li1+ and two equivalent Ag3+ atoms.