Materials Data on LiMnP by Materials Project

Abstract

LiMnP is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Li1+ is bonded to five equivalent P3- atoms to form distorted LiP5 trigonal bipyramids that share corners with twelve equivalent MnP4 tetrahedra, corners with four equivalent LiP5 trigonal bipyramids, edges with four equivalent MnP4 tetrahedra, and edges with eight equivalent LiP5 trigonal bipyramids. There are one shorter (2.59 Å) and four longer (2.68 Å) Li–P bond lengths. Mn2+ is bonded to four equivalent P3- atoms to form MnP4 tetrahedra that share corners with four equivalent MnP4 tetrahedra, corners with twelve equivalent LiP5 trigonal bipyramids, edges with four equivalent MnP4 tetrahedra, and edges with four equivalent LiP5 trigonal bipyramids. All Mn–P bond lengths are 2.30 Å. P3- is bonded in a 9-coordinate geometry to five equivalent Li1+ and four equivalent Mn2+ atoms.