Materials Data on Li2Mn3SbO8 by Materials Project

Abstract

Li2Mn3SbO8 is Spinel-derived structured and crystallizes in the cubic P4_332 space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three equivalent SbO6 octahedra and corners with nine equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 57–61°. There are three shorter (2.01 Å) and one longer (2.24 Å) Li–O bond lengths. Mn+3.67+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent LiO4 tetrahedra, edges with two equivalent SbO6 octahedra, and edges with four equivalent MnO6 octahedra. There are four shorter (2.01 Å) and two longer (2.17 Å) Mn–O bond lengths. Sb3+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with six equivalent LiO4 tetrahedra and edges with six equivalent MnO6 octahedra. All Sb–O bond lengths are 2.03 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Li1+, two equivalent Mn+3.67+, and one Sb3+ atom. In the second O2- site, O2- is bonded to one Li1+ and three equivalent Mn+3.67+ atoms to form distorted corner-sharing OLiMn3 tetrahedra.