Li2O2 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to six equivalent O(1) atoms to form edge-sharing LiO6 octahedra. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. O(1) is bonded in a 7-coordinate geometry to three equivalent Li(1), three equivalent Li(2), and one O(1) atom.
Li2O2 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to six equivalent O(1) atoms to form edge-sharing LiO6 octahedra. All Li(1)-O(1) bond lengths are 2.12 Å. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. All Li(2)-O(1) bond lengths are 1.95 Å. O(1) is bonded in a 7-coordinate geometry to three equivalent Li(1), three equivalent Li(2), and one O(1) atom. The O(1)-O(1) bond length is 1.54 Å.