Li2O is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to five equivalent O(1) atoms. In the second Li site, Li(2) is bonded to four equivalent O(1) atoms to form a mixture of corner and edge-sharing LiO4 tetrahedra. O(1) is bonded in a 9-coordinate geometry to four equivalent Li(2) and five equivalent Li(1) atoms.
Li2O is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to five equivalent O(1) atoms. There are a spread of Li(1)-O(1) bond distances ranging from 1.94-2.39 Å. In the second Li site, Li(2) is bonded to four equivalent O(1) atoms to form a mixture of corner and edge-sharing LiO4 tetrahedra. There are three shorter (1.94 Å) and one longer (1.96 Å) Li(2)-O(1) bond length. O(1) is bonded in a 9-coordinate geometry to four equivalent Li(2) and five equivalent Li(1) atoms.