Li2MnBO4 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent B(1)O4 tetrahedra, corners with two equivalent Mn(1)O4 trigonal pyramids, and  an edgeedge with one Mn(1)O4 trigonal pyramid. Mn(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted MnO4 trigonal pyramids that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent B(1)O4 tetrahedra, and edges with two equivalent Li(1)O4 tetrahedra. B(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form BO4 tetrahedra that share corners with eight equivalent Li(1)O4 tetrahedra and corners with four equivalent Mn(1)O4 trigonal pyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Mn(1), and one B(1) atom to form a mixture of distorted corner and edge-sharing OLi2MnB trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Li(1), one Mn(1), and one B(1) atom to form distorted corner-sharing OLi2MnB tetrahedra. In the third O site, O(3) is bonded to two equivalent Li(1), one Mn(1), and one B(1) atom to form a mixture of corner and edge-sharing OLi2MnB trigonal pyramids.
Li2MnBO4 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted LiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent B(1)O4 tetrahedra, corners with two equivalent Mn(1)O4 trigonal pyramids, and  an edgeedge with one Mn(1)O4 trigonal pyramid. The Li(1)-O(2) bond length is 1.94 Å. The Li(1)-O(3) bond length is 1.89 Å. There is one shorter (1.98 Å) and one longer (2.12 Å) Li(1)-O(1) bond length. Mn(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted MnO4 trigonal pyramids that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent B(1)O4 tetrahedra, and edges with two equivalent Li(1)O4 tetrahedra. The Mn(1)-O(2) bond length is 1.93 Å. The Mn(1)-O(3) bond length is 1.94 Å. Both Mn(1)-O(1) bond lengths are 1.94 Å. B(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form BO4 tetrahedra that share corners with eight equivalent Li(1)O4 tetrahedra and corners with four equivalent Mn(1)O4 trigonal pyramids. The B(1)-O(2) bond length is 1.46 Å. The B(1)-O(3) bond length is 1.50 Å. Both B(1)-O(1) bond lengths are 1.51 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Mn(1), and one B(1) atom to form a mixture of distorted corner and edge-sharing OLi2MnB trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Li(1), one Mn(1), and one B(1) atom to form distorted corner-sharing OLi2MnB tetrahedra. In the third O site, O(3) is bonded to two equivalent Li(1), one Mn(1), and one B(1) atom to form a mixture of corner and edge-sharing OLi2MnB trigonal pyramids.