Materials Data on LiMnF3 by Materials Project

Abstract

LiMnF3 is Ilmenite-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six equivalent F1- atoms. There are three shorter (1.95 Å) and three longer (2.39 Å) Li–F bond lengths. Mn2+ is bonded to six equivalent F1- atoms to form distorted corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are three shorter (2.15 Å) and three longer (2.16 Å) Mn–F bond lengths. 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.