Li4B2O5 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing LiO4 tetrahedra. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and one B(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and one B(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent B(1) atoms.
Li4B2O5 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. The Li(1)-O(3) bond length is 2.14 Å. There is one shorter (1.98 Å) and one longer (2.35 Å) Li(1)-O(1) bond length. There is one shorter (2.08 Å) and one longer (2.16 Å) Li(1)-O(2) bond length. In the second Li site, Li(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing LiO4 tetrahedra. There is one shorter (1.98 Å) and one longer (2.08 Å) Li(2)-O(1) bond length. There is one shorter (1.95 Å) and one longer (2.10 Å) Li(2)-O(2) bond length. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. The B(1)-O(1) bond length is 1.36 Å. The B(1)-O(2) bond length is 1.37 Å. The B(1)-O(3) bond length is 1.44 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and one B(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and one B(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent B(1) atoms.