LiMnBO4 is Spinel-derived structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra, corners with two equivalent B(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-64°. Mn(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form MnO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, corners with four equivalent B(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and  an edgeedge with one B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-64°. 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 two equivalent Li(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-59°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Mn(1), and one B(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Mn(1), and one B(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Mn(1), and one B(1) atom.
LiMnBO4 is Spinel-derived structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra, corners with two equivalent B(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-64°. Both Li(1)-O(1) bond lengths are 2.03 Å. Both Li(1)-O(2) bond lengths are 2.05 Å. Both Li(1)-O(3) bond lengths are 2.04 Å. Mn(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form MnO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, corners with four equivalent B(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and  an edgeedge with one B(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-64°. The Mn(1)-O(2) bond length is 1.90 Å. The Mn(1)-O(3) bond length is 1.92 Å. There are two shorter (1.96 Å) and two longer (1.99 Å) Mn(1)-O(1) bond lengths. 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 two equivalent Li(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-59°. The B(1)-O(2) bond length is 1.45 Å. The B(1)-O(3) bond length is 1.42 Å. Both B(1)-O(1) bond lengths are 1.56 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Mn(1), and one B(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Mn(1), and one B(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Mn(1), and one B(1) atom.