Materials Data on SrLiCrF6 by Materials Project

Abstract

LiSrCrF6 is beta Vanadium nitride-derived structured and crystallizes in the trigonal P-31c 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 SrF6 octahedra and edges with three equivalent CrF6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Li–F bond lengths are 2.08 Å. Sr2+ is bonded to six equivalent F1- atoms to form SrF6 octahedra that share corners with six equivalent LiF6 octahedra and corners with six equivalent CrF6 octahedra. The corner-sharing octahedra tilt angles range from 49–55°. All Sr–F bond lengths are 2.46 Å. Cr3+ is bonded to six equivalent F1- atoms to form CrF6 octahedra that share corners with six equivalent SrF6 octahedra and edges with three equivalent LiF6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Cr–F bond lengths are 1.95 Å. F1- is bonded in a distorted trigonal planar geometry to one Li1+, one Sr2+, and one Cr3+ atom.