Materials Data on LiMnF3 by Materials Project

Abstract

LiMnF3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of Li–F bond distances ranging from 1.82–2.06 Å. Mn2+ is bonded in a 5-coordinate geometry to five F1- atoms. There are one shorter (1.95 Å) and four longer (2.15 Å) Mn–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Li1+ and two equivalent Mn2+ atoms to form a mixture of distorted edge and corner-sharing FLi2Mn2 trigonal pyramids. In the second F1- site, F1- is bonded in a linear geometry to one Li1+ and one Mn2+ atom.