LiMn3(BO3)3 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(3), one O(8), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid, corners with two equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(4), one O(6), one O(7), and one O(8) atom to form MnO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra and edges with two equivalent Mn(2)O5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra and edges with two equivalent Mn(1)O5 trigonal bipyramids. In the third Mn site, Mn(3) is bonded to one O(9), two equivalent O(2), and two equivalent O(3) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and edges with two equivalent Mn(3)O5 trigonal bipyramids. There are three 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(4) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(6) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(7), one O(8), and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted 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 trigonal non-coplanar geometry to two equivalent Mn(3) and one B(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Mn(3), and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one B(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one B(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one B(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one B(3) atom. In the eighth O site, O(8) is bonded in a distorted tetrahedral geometry to one Li(1), one Mn(1), one Mn(2), and one B(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(3), and one B(3) atom.
LiMn3(BO3)3 crystallizes in the triclinic P-1 space group. Li(1) is bonded to one O(1), one O(3), one O(8), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid, corners with two equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. The Li(1)-O(1) bond length is 1.90 Å. The Li(1)-O(3) bond length is 2.12 Å. The Li(1)-O(8) bond length is 2.08 Å. The Li(1)-O(9) bond length is 1.97 Å. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(4), one O(6), one O(7), and one O(8) atom to form MnO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra and edges with two equivalent Mn(2)O5 trigonal bipyramids. The Mn(1)-O(1) bond length is 1.98 Å. The Mn(1)-O(4) bond length is 1.98 Å. The Mn(1)-O(6) bond length is 2.04 Å. The Mn(1)-O(7) bond length is 2.14 Å. The Mn(1)-O(8) bond length is 2.00 Å. In the second Mn site, Mn(2) is bonded to one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra and edges with two equivalent Mn(1)O5 trigonal bipyramids. The Mn(2)-O(4) bond length is 2.10 Å. The Mn(2)-O(5) bond length is 1.94 Å. The Mn(2)-O(6) bond length is 2.07 Å. The Mn(2)-O(7) bond length is 2.04 Å. The Mn(2)-O(8) bond length is 2.26 Å. In the third Mn site, Mn(3) is bonded to one O(9), two equivalent O(2), and two equivalent O(3) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Li(1)O4 tetrahedra, and edges with two equivalent Mn(3)O5 trigonal bipyramids. The Mn(3)-O(9) bond length is 2.01 Å. There is one shorter (2.02 Å) and one longer (2.10 Å) Mn(3)-O(2) bond length. There is one shorter (2.10 Å) and one longer (2.14 Å) Mn(3)-O(3) bond length. There are three 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(4) atom. The B(1)-O(1) bond length is 1.36 Å. The B(1)-O(2) bond length is 1.40 Å. The B(1)-O(4) bond length is 1.40 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(6) atom. The B(2)-O(3) bond length is 1.42 Å. The B(2)-O(5) bond length is 1.34 Å. The B(2)-O(6) bond length is 1.42 Å. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(7), one O(8), and one O(9) atom. The B(3)-O(7) bond length is 1.39 Å. The B(3)-O(8) bond length is 1.42 Å. The B(3)-O(9) bond length is 1.36 Å. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted 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 trigonal non-coplanar geometry to two equivalent Mn(3) and one B(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Mn(3), and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one B(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one B(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one B(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one B(3) atom. In the eighth O site, O(8) is bonded in a distorted tetrahedral geometry to one Li(1), one Mn(1), one Mn(2), and one B(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(3), and one B(3) atom.