LiMnB2O5 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share corners with four equivalent Mn(1)O4 tetrahedra. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent O(4) and two equivalent O(5) atoms. Mn(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted MnO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one B(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one B(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one B(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one B(1), and one B(2) atom.
LiMnB2O5 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share corners with four equivalent Mn(1)O4 tetrahedra. Both Li(1)-O(1) bond lengths are 2.01 Å. Both Li(1)-O(3) bond lengths are 2.07 Å. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent O(4) and two equivalent O(5) atoms. Both Li(2)-O(4) bond lengths are 1.99 Å. Both Li(2)-O(5) bond lengths are 2.14 Å. Mn(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted MnO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra. The Mn(1)-O(1) bond length is 1.92 Å. The Mn(1)-O(2) bond length is 1.87 Å. The Mn(1)-O(3) bond length is 1.91 Å. The Mn(1)-O(4) bond length is 1.96 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(5) atom. The B(1)-O(1) bond length is 1.37 Å. The B(1)-O(2) bond length is 1.37 Å. The B(1)-O(5) bond length is 1.41 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. The B(2)-O(3) bond length is 1.37 Å. The B(2)-O(4) bond length is 1.36 Å. The B(2)-O(5) bond length is 1.43 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one B(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one B(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one B(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one B(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one B(1), and one B(2) atom.