Materials Data on LiMnSb by Materials Project

Abstract

LiMnSb is Fluorite-derived structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Li1+ is bonded to four equivalent Sb3- atoms to form LiSb4 tetrahedra that share corners with four equivalent LiSb4 tetrahedra, corners with twelve equivalent MnSb4 tetrahedra, edges with two equivalent MnSb4 tetrahedra, and edges with four equivalent LiSb4 tetrahedra. All Li–Sb bond lengths are 2.84 Å. Mn2+ is bonded to four equivalent Sb3- atoms to form MnSb4 tetrahedra that share corners with four equivalent MnSb4 tetrahedra, corners with twelve equivalent LiSb4 tetrahedra, edges with two equivalent LiSb4 tetrahedra, and edges with four equivalent MnSb4 tetrahedra. All Mn–Sb bond lengths are 2.74 Å. Sb3- is bonded in a body-centered cubic geometry to four equivalent Li1+ and four equivalent Mn2+ atoms.