Materials Data on Li2FeO2 by Materials Project
Li2FeO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent O2- atoms to form LiO4 tetrahedra that share corners with six equivalent FeO6 octahedra, corners with six equivalent LiO4 tetrahedra, edges with three equivalent FeO6 octahedra, and edges with three equivalent LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 13–57°. There are a spread of Li–O bond distances ranging from 1.95–2.07 Å. Fe2+ is bonded to six equivalent O2- atoms to form FeO6 octahedra that share corners with twelve equivalent LiO4 tetrahedra, edges with six equivalent FeO6 octahedra, and edges with six equivalent LiO4 tetrahedra. There are four shorter (2.18 Å) and two longer (2.36 Å) Fe–O bond lengths. O2- is bonded in a 7-coordinate geometry to four equivalent Li1+ and three equivalent Fe2+ atoms.