Materials Data on LiCoF2 by Materials Project

Abstract

LiCoF2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent CoF6 octahedra, edges with six equivalent LiF6 octahedra, and edges with six equivalent CoF6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Li–F bond lengths are 2.02 Å. Co1+ is bonded to six equivalent F1- atoms to form distorted CoF6 octahedra that share corners with six equivalent LiF6 octahedra, edges with six equivalent LiF6 octahedra, and edges with six equivalent CoF6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Co–F bond lengths are 2.30 Å. F1- is bonded to three equivalent Li1+ and three equivalent Co1+ atoms to form a mixture of corner and edge-sharing FLi3Co3 octahedra. The corner-sharing octahedral tilt angles are 0°.