LiMnBO3 crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid, corners with three equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid, corners with three equivalent Mn(2)O5 trigonal bipyramids, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(6) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and edges with two equivalent Mn(2)O5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and edges with two equivalent Mn(1)O5 trigonal bipyramids. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(6) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Mn(2), and one B(2) atom. In the second O site, O(6) is bonded to one Li(1), one Li(2), one Mn(1), and one B(1) atom to form distorted corner-sharing OLi2MnB trigonal pyramids. In the third O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(1), one Mn(2), and one B(2) atom. In the fourth O site, O(2) is bonded to one Li(1), one Mn(1), one Mn(2), and one B(1) atom to form distorted corner-sharing OLiMn2B tetrahedra. In the fifth O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(2), and one B(1) atom. In the sixth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Mn(1), one Mn(2), and one B(2) atom.
LiMnBO3 crystallizes in the monoclinic Cc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid, corners with three equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. The Li(1)-O(2) bond length is 2.03 Å. The Li(1)-O(3) bond length is 1.97 Å. The Li(1)-O(5) bond length is 2.05 Å. The Li(1)-O(6) bond length is 1.91 Å. In the second Li site, Li(2) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid, corners with three equivalent Mn(2)O5 trigonal bipyramids, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. The Li(2)-O(1) bond length is 2.01 Å. The Li(2)-O(4) bond length is 1.95 Å. The Li(2)-O(5) bond length is 1.98 Å. The Li(2)-O(6) bond length is 2.07 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(6) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Li(2)O4 tetrahedra, and edges with two equivalent Mn(2)O5 trigonal bipyramids. The Mn(1)-O(1) bond length is 2.29 Å. The Mn(1)-O(2) bond length is 2.12 Å. The Mn(1)-O(3) bond length is 2.12 Å. The Mn(1)-O(4) bond length is 2.27 Å. The Mn(1)-O(6) bond length is 2.10 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(5) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and edges with two equivalent Mn(1)O5 trigonal bipyramids. The Mn(2)-O(1) bond length is 2.10 Å. The Mn(2)-O(2) bond length is 2.26 Å. The Mn(2)-O(3) bond length is 2.31 Å. The Mn(2)-O(4) bond length is 2.13 Å. The Mn(2)-O(5) bond length is 2.09 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(6) atom. The B(1)-O(2) bond length is 1.40 Å. The B(1)-O(3) bond length is 1.40 Å. The B(1)-O(6) bond length is 1.39 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(5) atom. The B(2)-O(1) bond length is 1.39 Å. The B(2)-O(4) bond length is 1.40 Å. The B(2)-O(5) bond length is 1.38 Å. There are six inequivalent O sites. In the first O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Mn(2), and one B(2) atom. In the second O site, O(6) is bonded to one Li(1), one Li(2), one Mn(1), and one B(1) atom to form distorted corner-sharing OLi2MnB trigonal pyramids. In the third O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(1), one Mn(2), and one B(2) atom. In the fourth O site, O(2) is bonded to one Li(1), one Mn(1), one Mn(2), and one B(1) atom to form distorted corner-sharing OLiMn2B tetrahedra. In the fifth O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(2), and one B(1) atom. In the sixth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Mn(1), one Mn(2), and one B(2) atom.