Li9Mn4(BO3)8 crystallizes in the triclinic P1 space group. There are nine inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(18), one O(3), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Li(4)O5 trigonal bipyramid, corners with two equivalent Mn(3)O6 trigonal bipyramids, and  an edgeedge with one Li(8)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 61-72°. In the second Li site, Li(2) is bonded to one O(19), one O(2), one O(5), one O(7), and one O(9) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Mn(3)O6 trigonal bipyramid,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Li(4)O5 trigonal bipyramid, and  an edgeedge with one Li(6)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(10), one O(22), one O(3), and one O(6) atom. In the fourth Li site, Li(4) is bonded to one O(11), one O(2), one O(20), one O(4), and one O(7) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Mn(3)O6 trigonal bipyramid, corners with two equivalent Li(6)O5 trigonal bipyramids,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Li(2)O5 trigonal bipyramid. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(1), one O(15), one O(16), one O(4), and one O(7) atom. In the sixth Li site, Li(6) is bonded to one O(15), one O(19), one O(20), one O(23), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Li(4)O5 trigonal bipyramids,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Mn(3)O6 trigonal bipyramid. The corner-sharing octahedral tilt angles are 70°. In the seventh Li site, Li(7) is bonded in a 5-coordinate geometry to one O(10), one O(19), one O(21), one O(24), and one O(9) atom. In the eighth Li site, Li(8) is bonded to one O(13), one O(16), one O(18), one O(22), and one O(3) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Mn(4)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Mn(3)O6 trigonal bipyramid. The corner-sharing octahedral tilt angles are 58°. In the ninth Li site, Li(9) is bonded in a distorted see-saw-like geometry to one O(14), one O(21), one O(23), and one O(5) atom. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(13), one O(15), one O(20), one O(24), one O(3), and one O(4) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Li(4)O5 trigonal bipyramid,  an edgeedge with one Li(6)O5 trigonal bipyramid, and  an edgeedge with one Li(8)O5 trigonal bipyramid. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(17), one O(19), one O(2), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(6)O5 trigonal bipyramid,  an edgeedge with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Li(4)O5 trigonal bipyramid. In the third Mn site, Mn(3) is bonded to one O(14), one O(16), one O(18), one O(23), one O(7), and one O(8) atom to form distorted MnO6 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid,  an edgeedge with one Li(6)O5 trigonal bipyramid, and  an edgeedge with one Li(8)O5 trigonal bipyramid. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(12), one O(21), one O(22), one O(5), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(8)O5 trigonal bipyramid and  an edgeedge with one Li(2)O5 trigonal bipyramid. There are eight inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(23), one O(7), and one O(8) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(10), one O(24), and one O(9) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(13), one O(3), and one O(4) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(14), one O(5), and one O(6) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(11), one O(18), and one O(20) atom. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(12), one O(21), and one O(22) atom. In the seventh B site, B(7) is bonded in a trigonal planar geometry to one O(1), one O(15), and one O(16) atom. In the eighth B site, B(8) is bonded in a trigonal planar geometry to one O(17), one O(19), and one O(2) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(5), one Mn(4), and one B(7) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(4), one Mn(2), and one B(8) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Li(8), one Mn(1), and one B(3) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(5), one Mn(1), and one B(3) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(9), one Mn(4), and one B(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Mn(2), and one B(4) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Li(2), one Li(4), one Li(5), one Li(6), one Mn(3), and one B(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(3), and one B(1) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(7), one Mn(4), and one B(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(3), one Li(7), one Mn(2), and one B(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one Mn(2), and one B(5) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Mn(4) and one B(6) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(8), one Mn(1), and one B(3) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(9), one Mn(3), and one B(4) atom. In the fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Li(5), one Li(6), one Mn(1), and one B(7) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(5), one Li(8), one Mn(3), and one B(7) atom. In the seventeenth O site, O(17) is bonded in an L-shaped geometry to one Mn(2) and one B(8) atom. In the eighteenth O site, O(18) is bonded to one Li(1), one Li(8), one Mn(3), and one B(5) atom to form distorted corner-sharing OLi2MnB trigonal pyramids. In the nineteenth O site, O(19) is bonded in a 5-coordinate geometry to one Li(2), one Li(6), one Li(7), one Mn(2), and one B(8) atom. In the twentieth O site, O(20) is bonded to one Li(4), one Li(6), one Mn(1), and one B(5) atom to form distorted corner-sharing OLi2MnB tetrahedra. In the twenty-first O site, O(21) is bonded in a rectangular see-saw-like geometry to one Li(7), one Li(9), one Mn(4), and one B(6) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Li(3), one Li(8), one Mn(4), and one B(6) atom. In the twenty-third O site, O(23) is bonded in a rectangular see-saw-like geometry to one Li(6), one Li(9), one Mn(3), and one B(1) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Li(7), one Mn(1), and one B(2) atom.
Li9Mn4(BO3)8 crystallizes in the triclinic P1 space group. There are nine inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(18), one O(3), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Li(4)O5 trigonal bipyramid, corners with two equivalent Mn(3)O6 trigonal bipyramids, and  an edgeedge with one Li(8)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 61-72°. The Li(1)-O(11) bond length is 2.32 Å. The Li(1)-O(18) bond length is 1.94 Å. The Li(1)-O(3) bond length is 2.27 Å. The Li(1)-O(8) bond length is 1.88 Å. In the second Li site, Li(2) is bonded to one O(19), one O(2), one O(5), one O(7), and one O(9) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Mn(3)O6 trigonal bipyramid,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Li(4)O5 trigonal bipyramid, and  an edgeedge with one Li(6)O5 trigonal bipyramid. The Li(2)-O(19) bond length is 2.12 Å. The Li(2)-O(2) bond length is 2.08 Å. The Li(2)-O(5) bond length is 2.11 Å. The Li(2)-O(7) bond length is 2.15 Å. The Li(2)-O(9) bond length is 2.13 Å. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one O(10), one O(22), one O(3), and one O(6) atom. The Li(3)-O(10) bond length is 2.05 Å. The Li(3)-O(22) bond length is 1.97 Å. The Li(3)-O(3) bond length is 2.49 Å. The Li(3)-O(6) bond length is 2.03 Å. In the fourth Li site, Li(4) is bonded to one O(11), one O(2), one O(20), one O(4), and one O(7) atom to form LiO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Mn(3)O6 trigonal bipyramid, corners with two equivalent Li(6)O5 trigonal bipyramids,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The Li(4)-O(11) bond length is 2.04 Å. The Li(4)-O(2) bond length is 2.10 Å. The Li(4)-O(20) bond length is 2.03 Å. The Li(4)-O(4) bond length is 2.30 Å. The Li(4)-O(7) bond length is 1.98 Å. In the fifth Li site, Li(5) is bonded in a 5-coordinate geometry to one O(1), one O(15), one O(16), one O(4), and one O(7) atom. The Li(5)-O(1) bond length is 1.99 Å. The Li(5)-O(15) bond length is 2.01 Å. The Li(5)-O(16) bond length is 2.29 Å. The Li(5)-O(4) bond length is 1.98 Å. The Li(5)-O(7) bond length is 2.26 Å. In the sixth Li site, Li(6) is bonded to one O(15), one O(19), one O(20), one O(23), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Li(4)O5 trigonal bipyramids,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Mn(3)O6 trigonal bipyramid. The corner-sharing octahedral tilt angles are 70°. The Li(6)-O(15) bond length is 2.30 Å. The Li(6)-O(19) bond length is 2.21 Å. The Li(6)-O(20) bond length is 2.00 Å. The Li(6)-O(23) bond length is 1.98 Å. The Li(6)-O(7) bond length is 1.99 Å. In the seventh Li site, Li(7) is bonded in a 5-coordinate geometry to one O(10), one O(19), one O(21), one O(24), and one O(9) atom. The Li(7)-O(10) bond length is 2.25 Å. The Li(7)-O(19) bond length is 2.28 Å. The Li(7)-O(21) bond length is 1.98 Å. The Li(7)-O(24) bond length is 2.03 Å. The Li(7)-O(9) bond length is 2.05 Å. In the eighth Li site, Li(8) is bonded to one O(13), one O(16), one O(18), one O(22), and one O(3) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Mn(4)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Mn(3)O6 trigonal bipyramid. The corner-sharing octahedral tilt angles are 58°. The Li(8)-O(13) bond length is 2.12 Å. The Li(8)-O(16) bond length is 2.04 Å. The Li(8)-O(18) bond length is 2.19 Å. The Li(8)-O(22) bond length is 2.08 Å. The Li(8)-O(3) bond length is 2.14 Å. In the ninth Li site, Li(9) is bonded in a distorted see-saw-like geometry to one O(14), one O(21), one O(23), and one O(5) atom. The Li(9)-O(14) bond length is 1.90 Å. The Li(9)-O(21) bond length is 2.15 Å. The Li(9)-O(23) bond length is 2.05 Å. The Li(9)-O(5) bond length is 1.94 Å. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(13), one O(15), one O(20), one O(24), one O(3), and one O(4) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  an edgeedge with one Li(4)O5 trigonal bipyramid,  an edgeedge with one Li(6)O5 trigonal bipyramid, and  an edgeedge with one Li(8)O5 trigonal bipyramid. The Mn(1)-O(13) bond length is 1.96 Å. The Mn(1)-O(15) bond length is 1.91 Å. The Mn(1)-O(20) bond length is 1.97 Å. The Mn(1)-O(24) bond length is 1.94 Å. The Mn(1)-O(3) bond length is 2.02 Å. The Mn(1)-O(4) bond length is 1.94 Å. In the second Mn site, Mn(2) is bonded to one O(10), one O(11), one O(17), one O(19), one O(2), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(6)O5 trigonal bipyramid,  an edgeedge with one Li(2)O5 trigonal bipyramid, and  an edgeedge with one Li(4)O5 trigonal bipyramid. The Mn(2)-O(10) bond length is 1.96 Å. The Mn(2)-O(11) bond length is 1.97 Å. The Mn(2)-O(17) bond length is 1.89 Å. The Mn(2)-O(19) bond length is 2.09 Å. The Mn(2)-O(2) bond length is 2.02 Å. The Mn(2)-O(6) bond length is 1.90 Å. In the third Mn site, Mn(3) is bonded to one O(14), one O(16), one O(18), one O(23), one O(7), and one O(8) atom to form distorted MnO6 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O5 trigonal bipyramid,  a cornercorner with one Li(4)O5 trigonal bipyramid,  an edgeedge with one Li(6)O5 trigonal bipyramid, and  an edgeedge with one Li(8)O5 trigonal bipyramid. The Mn(3)-O(14) bond length is 1.93 Å. The Mn(3)-O(16) bond length is 1.96 Å. The Mn(3)-O(18) bond length is 2.06 Å. The Mn(3)-O(23) bond length is 1.99 Å. The Mn(3)-O(7) bond length is 2.57 Å. The Mn(3)-O(8) bond length is 1.96 Å. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(12), one O(21), one O(22), one O(5), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(8)O5 trigonal bipyramid and  an edgeedge with one Li(2)O5 trigonal bipyramid. The Mn(4)-O(1) bond length is 1.91 Å. The Mn(4)-O(12) bond length is 1.92 Å. The Mn(4)-O(21) bond length is 1.96 Å. The Mn(4)-O(22) bond length is 2.00 Å. The Mn(4)-O(5) bond length is 1.94 Å. The Mn(4)-O(9) bond length is 1.94 Å. There are eight inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(23), one O(7), and one O(8) atom. The B(1)-O(23) bond length is 1.39 Å. The B(1)-O(7) bond length is 1.38 Å. The B(1)-O(8) bond length is 1.38 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(10), one O(24), and one O(9) atom. The B(2)-O(10) bond length is 1.40 Å. The B(2)-O(24) bond length is 1.38 Å. The B(2)-O(9) bond length is 1.38 Å. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(13), one O(3), and one O(4) atom. The B(3)-O(13) bond length is 1.35 Å. The B(3)-O(3) bond length is 1.40 Å. The B(3)-O(4) bond length is 1.40 Å. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(14), one O(5), and one O(6) atom. The B(4)-O(14) bond length is 1.37 Å. The B(4)-O(5) bond length is 1.41 Å. The B(4)-O(6) bond length is 1.37 Å. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(11), one O(18), and one O(20) atom. The B(5)-O(11) bond length is 1.42 Å. The B(5)-O(18) bond length is 1.34 Å. The B(5)-O(20) bond length is 1.42 Å. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(12), one O(21), and one O(22) atom. The B(6)-O(12) bond length is 1.35 Å. The B(6)-O(21) bond length is 1.41 Å. The B(6)-O(22) bond length is 1.40 Å. In the seventh B site, B(7) is bonded in a trigonal planar geometry to one O(1), one O(15), and one O(16) atom. The B(7)-O(1) bond length is 1.38 Å. The B(7)-O(15) bond length is 1.39 Å. The B(7)-O(16) bond length is 1.38 Å. In the eighth B site, B(8) is bonded in a trigonal planar geometry to one O(17), one O(19), and one O(2) atom. The B(8)-O(17) bond length is 1.38 Å. The B(8)-O(19) bond length is 1.41 Å. The B(8)-O(2) bond length is 1.36 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(5), one Mn(4), and one B(7) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(4), one Mn(2), and one B(8) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Li(3), one Li(8), one Mn(1), and one B(3) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Li(5), one Mn(1), and one B(3) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(9), one Mn(4), and one B(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Mn(2), and one B(4) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Li(2), one Li(4), one Li(5), one Li(6), one Mn(3), and one B(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(3), and one B(1) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(7), one Mn(4), and one B(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(3), one Li(7), one Mn(2), and one B(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one Mn(2), and one B(5) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Mn(4) and one B(6) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(8), one Mn(1), and one B(3) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(9), one Mn(3), and one B(4) atom. In the fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Li(5), one Li(6), one Mn(1), and one B(7) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Li(5), one Li(8), one Mn(3), and one B(7) atom. In the seventeenth O site, O(17) is bonded in an L-shaped geometry to one Mn(2) and one B(8) atom. In the eighteenth O site, O(18) is bonded to one Li(1), one Li(8), one Mn(3), and one B(5) atom to form distorted corner-sharing OLi2MnB trigonal pyramids. In the nineteenth O site, O(19) is bonded in a 5-coordinate geometry to one Li(2), one Li(6), one Li(7), one Mn(2), and one B(8) atom. In the twentieth O site, O(20) is bonded to one Li(4), one Li(6), one Mn(1), and one B(5) atom to form distorted corner-sharing OLi2MnB tetrahedra. In the twenty-first O site, O(21) is bonded in a rectangular see-saw-like geometry to one Li(7), one Li(9), one Mn(4), and one B(6) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Li(3), one Li(8), one Mn(4), and one B(6) atom. In the twenty-third O site, O(23) is bonded in a rectangular see-saw-like geometry to one Li(6), one Li(9), one Mn(3), and one B(1) atom. In the twenty-fourth O site, O(24) is bonded in a distorted trigonal planar geometry to one Li(7), one Mn(1), and one B(2) atom.