LiMnBO3 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Mn(1)O5 square pyramids, corners with two equivalent Li(1)O4 trigonal pyramids, and edges with two equivalent Mn(1)O5 square pyramids. Mn(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MnO5 square pyramids that share corners with two equivalent Li(1)O4 trigonal pyramids, edges with two equivalent Mn(1)O5 square pyramids, and edges with two equivalent Li(1)O4 trigonal pyramids. 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 distorted see-saw-like geometry to two equivalent Li(1), one Mn(1), and one B(1) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent Mn(1), and one B(1) atom to form a mixture of distorted corner and edge-sharing OLiMn2B trigonal pyramids. In the third O site, O(3) is bonded to one Li(1), two equivalent Mn(1), and one B(1) atom to form a mixture of distorted corner and edge-sharing OLiMn2B tetrahedra.
LiMnBO3 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Mn(1)O5 square pyramids, corners with two equivalent Li(1)O4 trigonal pyramids, and edges with two equivalent Mn(1)O5 square pyramids. The Li(1)-O(2) bond length is 2.09 Å. The Li(1)-O(3) bond length is 1.95 Å. There is one shorter (1.92 Å) and one longer (1.93 Å) Li(1)-O(1) bond length. Mn(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MnO5 square pyramids that share corners with two equivalent Li(1)O4 trigonal pyramids, edges with two equivalent Mn(1)O5 square pyramids, and edges with two equivalent Li(1)O4 trigonal pyramids. The Mn(1)-O(1) bond length is 2.14 Å. Both Mn(1)-O(2) bond lengths are 2.19 Å. There is one shorter (2.15 Å) and one longer (2.16 Å) Mn(1)-O(3) 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 1.37 Å. The B(1)-O(2) bond length is 1.40 Å. The B(1)-O(3) bond length is 1.41 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Li(1), one Mn(1), and one B(1) atom. In the second O site, O(2) is bonded to one Li(1), two equivalent Mn(1), and one B(1) atom to form a mixture of distorted corner and edge-sharing OLiMn2B trigonal pyramids. In the third O site, O(3) is bonded to one Li(1), two equivalent Mn(1), and one B(1) atom to form a mixture of distorted corner and edge-sharing OLiMn2B tetrahedra.