Li2Mn3(BO3)3 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(23), one O(3), and one O(5) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(6)O5 square pyramid,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  a cornercorner with one Mn(9)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded to one O(2), one O(24), one O(3), and one O(4) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(5)O5 square pyramid,  a cornercorner with one Mn(6)O5 square pyramid,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid, and  a cornercorner with one Mn(8)O5 trigonal bipyramid. In the third Li site, Li(3) is bonded to one O(10), one O(12), one O(13), and one O(19) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(5)O5 square pyramid,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid, and  a cornercorner with one Mn(8)O5 trigonal bipyramid. In the fourth Li site, Li(4) is bonded to one O(11), one O(12), one O(14), and one O(20) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(5)O5 square pyramid,  a cornercorner with one Mn(6)O5 square pyramid,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  a cornercorner with one Mn(9)O5 trigonal bipyramid. In the fifth Li site, Li(5) is bonded to one O(16), one O(17), one O(27), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(6)O5 square pyramid,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(8)O5 trigonal bipyramid, and  a cornercorner with one Mn(9)O5 trigonal bipyramid. In the sixth Li site, Li(6) is bonded to one O(16), one O(18), one O(25), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(5)O5 square pyramid,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid, and  a cornercorner with one Mn(8)O5 trigonal bipyramid. There are nine inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(13), one O(14), one O(17), one O(23), and one O(24) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  an edgeedge with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. In the second Mn site, Mn(2) is bonded to one O(14), one O(15), one O(16), one O(22), and one O(23) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. In the third Mn site, Mn(3) is bonded to one O(13), one O(15), one O(18), one O(22), and one O(24) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. In the fourth Mn site, Mn(4) is bonded in a 5-coordinate geometry to one O(1), one O(19), one O(21), one O(8), and one O(9) atom. In the fifth Mn site, Mn(5) is bonded to one O(19), one O(2), one O(20), one O(7), and one O(8) atom to form distorted MnO5 square pyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, and  an edgeedge with one Mn(6)O5 square pyramid. In the sixth Mn site, Mn(6) is bonded to one O(20), one O(21), one O(3), one O(7), and one O(9) atom to form MnO5 square pyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, and  an edgeedge with one Mn(5)O5 square pyramid. In the seventh Mn site, Mn(7) is bonded in a 5-coordinate geometry to one O(12), one O(25), one O(26), one O(4), and one O(5) atom. In the eighth Mn site, Mn(8) is bonded to one O(10), one O(25), one O(27), one O(4), and one O(6) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, and  an edgeedge with one Mn(9)O5 trigonal bipyramid. In the ninth Mn site, Mn(9) is bonded to one O(11), one O(26), one O(27), one O(5), and one O(6) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, and  an edgeedge with one Mn(8)O5 trigonal bipyramid. There are nine inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(11), one O(17), and one O(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(13), one O(4), and one O(7) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(14), one O(5), and one O(9) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(12), one O(18), and one O(2) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(15), one O(6), and one O(8) atom. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(1), one O(10), and one O(16) atom. In the seventh B site, B(7) is bonded in a trigonal planar geometry to one O(20), one O(23), and one O(26) atom. In the eighth B site, B(8) is bonded in a trigonal planar geometry to one O(19), one O(24), and one O(25) atom. In the ninth B site, B(9) is bonded in a trigonal planar geometry to one O(21), one O(22), and one O(27) atom. There are twenty-seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(4), and one B(6) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(5), and one B(4) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Mn(6), and one B(1) atom to form corner-sharing OLi2MnB tetrahedra. In the fourth O site, O(4) is bonded to one Li(2), one Mn(7), one Mn(8), and one B(2) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(12)Li2MnB tetrahedra,  a cornercorner with one O(3)Li2MnB tetrahedra,  a cornercorner with one O(13)LiMn2B tetrahedra,  a cornercorner with one O(24)LiMn2B tetrahedra, and  a cornercorner with one O(5)LiMn2B tetrahedra. In the fifth O site, O(5) is bonded to one Li(1), one Mn(7), one Mn(9), and one B(3) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(12)Li2MnB tetrahedra,  a cornercorner with one O(3)Li2MnB tetrahedra,  a cornercorner with one O(14)LiMn2B tetrahedra,  a cornercorner with one O(23)LiMn2B tetrahedra,  a cornercorner with one O(4)LiMn2B tetrahedra, and  a cornercorner with one O(9)LiMn2B tetrahedra. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(8), one Mn(9), and one B(5) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mn(5), one Mn(6), and one B(2) atom. In the eighth O site, O(8) is bonded to one Li(6), one Mn(4), one Mn(5), and one B(5) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(16)Li2MnB tetrahedra and  a cornercorner with one O(9)LiMn2B tetrahedra. In the ninth O site, O(9) is bonded to one Li(5), one Mn(4), one Mn(6), and one B(3) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(16)Li2MnB tetrahedra,  a cornercorner with one O(3)Li2MnB tetrahedra,  a cornercorner with one O(14)LiMn2B tetrahedra,  a cornercorner with one O(5)LiMn2B tetrahedra, and  a cornercorner with one O(8)LiMn2B tetrahedra. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(8), and one B(6) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(9), and one B(1) atom. In the twelfth O site, O(12) is bonded to one Li(3), one Li(4), one Mn(7), and one B(4) atom to form corner-sharing OLi2MnB tetrahedra. In the thirteenth O site, O(13) is bonded to one Li(3), one Mn(1), one Mn(3), and one B(2) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(12)Li2MnB tetrahedra,  a cornercorner with one O(14)LiMn2B tetrahedra,  a cornercorner with one O(23)LiMn2B tetrahedra,  a cornercorner with one O(4)LiMn2B tetrahedra, and  an edgeedge with one O(24)LiMn2B tetrahedra. In the fourteenth O site, O(14) is bonded to one Li(4), one Mn(1), one Mn(2), and one B(3) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(12)Li2MnB tetrahedra,  a cornercorner with one O(16)Li2MnB tetrahedra,  a cornercorner with one O(13)LiMn2B tetrahedra,  a cornercorner with one O(24)LiMn2B tetrahedra,  a cornercorner with one O(5)LiMn2B tetrahedra,  a cornercorner with one O(9)LiMn2B tetrahedra, and  an edgeedge with one O(23)LiMn2B tetrahedra. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one B(5) atom. In the sixteenth O site, O(16) is bonded to one Li(5), one Li(6), one Mn(2), and one B(6) atom to form corner-sharing OLi2MnB tetrahedra. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Li(5), one Mn(1), and one B(1) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(6), one Mn(3), and one B(4) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Li(3), one Mn(4), one Mn(5), and one B(8) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Li(4), one Mn(5), one Mn(6), and one B(7) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal non-coplanar geometry to one Mn(4), one Mn(6), and one B(9) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one B(9) atom. In the twenty-third O site, O(23) is bonded to one Li(1), one Mn(1), one Mn(2), and one B(7) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(16)Li2MnB tetrahedra,  a cornercorner with one O(3)Li2MnB tetrahedra,  a cornercorner with one O(13)LiMn2B tetrahedra,  a cornercorner with one O(24)LiMn2B tetrahedra,  a cornercorner with one O(5)LiMn2B tetrahedra, and  an edgeedge with one O(14)LiMn2B tetrahedra. In the twenty-fourth O site, O(24) is bonded to one Li(2), one Mn(1), one Mn(3), and one B(8) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(3)Li2MnB tetrahedra,  a cornercorner with one O(14)LiMn2B tetrahedra,  a cornercorner with one O(23)LiMn2B tetrahedra,  a cornercorner with one O(4)LiMn2B tetrahedra, and  an edgeedge with one O(13)LiMn2B tetrahedra. In the twenty-fifth O site, O(25) is bonded in a distorted rectangular see-saw-like geometry to one Li(6), one Mn(7), one Mn(8), and one B(8) atom. In the twenty-sixth O site, O(26) is bonded in a 3-coordinate geometry to one Mn(7), one Mn(9), and one B(7) atom. In the twenty-seventh O site, O(27) is bonded in a 4-coordinate geometry to one Li(5), one Mn(8), one Mn(9), and one B(9) atom.
Li2Mn3(BO3)3 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(23), one O(3), and one O(5) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(6)O5 square pyramid,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  a cornercorner with one Mn(9)O5 trigonal bipyramid. The Li(1)-O(1) bond length is 1.92 Å. The Li(1)-O(23) bond length is 2.05 Å. The Li(1)-O(3) bond length is 2.01 Å. The Li(1)-O(5) bond length is 2.06 Å. In the second Li site, Li(2) is bonded to one O(2), one O(24), one O(3), and one O(4) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(5)O5 square pyramid,  a cornercorner with one Mn(6)O5 square pyramid,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid, and  a cornercorner with one Mn(8)O5 trigonal bipyramid. The Li(2)-O(2) bond length is 1.94 Å. The Li(2)-O(24) bond length is 2.03 Å. The Li(2)-O(3) bond length is 2.00 Å. The Li(2)-O(4) bond length is 2.03 Å. In the third Li site, Li(3) is bonded to one O(10), one O(12), one O(13), and one O(19) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(5)O5 square pyramid,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid, and  a cornercorner with one Mn(8)O5 trigonal bipyramid. The Li(3)-O(10) bond length is 1.96 Å. The Li(3)-O(12) bond length is 1.98 Å. The Li(3)-O(13) bond length is 2.05 Å. The Li(3)-O(19) bond length is 2.00 Å. In the fourth Li site, Li(4) is bonded to one O(11), one O(12), one O(14), and one O(20) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(5)O5 square pyramid,  a cornercorner with one Mn(6)O5 square pyramid,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  a cornercorner with one Mn(9)O5 trigonal bipyramid. The Li(4)-O(11) bond length is 1.89 Å. The Li(4)-O(12) bond length is 1.96 Å. The Li(4)-O(14) bond length is 2.05 Å. The Li(4)-O(20) bond length is 2.00 Å. In the fifth Li site, Li(5) is bonded to one O(16), one O(17), one O(27), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(6)O5 square pyramid,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(8)O5 trigonal bipyramid, and  a cornercorner with one Mn(9)O5 trigonal bipyramid. The Li(5)-O(16) bond length is 1.97 Å. The Li(5)-O(17) bond length is 1.93 Å. The Li(5)-O(27) bond length is 2.02 Å. The Li(5)-O(9) bond length is 2.04 Å. In the sixth Li site, Li(6) is bonded to one O(16), one O(18), one O(25), and one O(8) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(5)O5 square pyramid,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid,  a cornercorner with one Mn(3)O5 trigonal bipyramid, and  a cornercorner with one Mn(8)O5 trigonal bipyramid. The Li(6)-O(16) bond length is 1.99 Å. The Li(6)-O(18) bond length is 1.96 Å. The Li(6)-O(25) bond length is 2.01 Å. The Li(6)-O(8) bond length is 2.10 Å. There are nine inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(13), one O(14), one O(17), one O(23), and one O(24) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  an edgeedge with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. The Mn(1)-O(13) bond length is 2.15 Å. The Mn(1)-O(14) bond length is 2.25 Å. The Mn(1)-O(17) bond length is 2.00 Å. The Mn(1)-O(23) bond length is 2.29 Å. The Mn(1)-O(24) bond length is 2.18 Å. In the second Mn site, Mn(2) is bonded to one O(14), one O(15), one O(16), one O(22), and one O(23) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. The Mn(2)-O(14) bond length is 2.06 Å. The Mn(2)-O(15) bond length is 1.94 Å. The Mn(2)-O(16) bond length is 2.08 Å. The Mn(2)-O(22) bond length is 2.00 Å. The Mn(2)-O(23) bond length is 2.00 Å. In the third Mn site, Mn(3) is bonded to one O(13), one O(15), one O(18), one O(22), and one O(24) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. The Mn(3)-O(13) bond length is 2.25 Å. The Mn(3)-O(15) bond length is 2.17 Å. The Mn(3)-O(18) bond length is 2.04 Å. The Mn(3)-O(22) bond length is 2.27 Å. The Mn(3)-O(24) bond length is 2.18 Å. In the fourth Mn site, Mn(4) is bonded in a 5-coordinate geometry to one O(1), one O(19), one O(21), one O(8), and one O(9) atom. The Mn(4)-O(1) bond length is 2.01 Å. The Mn(4)-O(19) bond length is 2.20 Å. The Mn(4)-O(21) bond length is 2.20 Å. The Mn(4)-O(8) bond length is 2.17 Å. The Mn(4)-O(9) bond length is 2.39 Å. In the fifth Mn site, Mn(5) is bonded to one O(19), one O(2), one O(20), one O(7), and one O(8) atom to form distorted MnO5 square pyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, and  an edgeedge with one Mn(6)O5 square pyramid. The Mn(5)-O(19) bond length is 2.21 Å. The Mn(5)-O(2) bond length is 2.02 Å. The Mn(5)-O(20) bond length is 2.30 Å. The Mn(5)-O(7) bond length is 2.18 Å. The Mn(5)-O(8) bond length is 2.15 Å. In the sixth Mn site, Mn(6) is bonded to one O(20), one O(21), one O(3), one O(7), and one O(9) atom to form MnO5 square pyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, and  an edgeedge with one Mn(5)O5 square pyramid. The Mn(6)-O(20) bond length is 2.04 Å. The Mn(6)-O(21) bond length is 1.96 Å. The Mn(6)-O(3) bond length is 2.09 Å. The Mn(6)-O(7) bond length is 1.95 Å. The Mn(6)-O(9) bond length is 2.01 Å. In the seventh Mn site, Mn(7) is bonded in a 5-coordinate geometry to one O(12), one O(25), one O(26), one O(4), and one O(5) atom. The Mn(7)-O(12) bond length is 2.06 Å. The Mn(7)-O(25) bond length is 2.20 Å. The Mn(7)-O(26) bond length is 2.13 Å. The Mn(7)-O(4) bond length is 2.20 Å. The Mn(7)-O(5) bond length is 2.27 Å. In the eighth Mn site, Mn(8) is bonded to one O(10), one O(25), one O(27), one O(4), and one O(6) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra, and  an edgeedge with one Mn(9)O5 trigonal bipyramid. The Mn(8)-O(10) bond length is 2.01 Å. The Mn(8)-O(25) bond length is 2.22 Å. The Mn(8)-O(27) bond length is 2.17 Å. The Mn(8)-O(4) bond length is 2.14 Å. The Mn(8)-O(6) bond length is 2.12 Å. In the ninth Mn site, Mn(9) is bonded to one O(11), one O(26), one O(27), one O(5), and one O(6) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, and  an edgeedge with one Mn(8)O5 trigonal bipyramid. The Mn(9)-O(11) bond length is 2.02 Å. The Mn(9)-O(26) bond length is 2.16 Å. The Mn(9)-O(27) bond length is 2.21 Å. The Mn(9)-O(5) bond length is 2.20 Å. The Mn(9)-O(6) bond length is 2.11 Å. There are nine inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(11), one O(17), and one O(3) atom. The B(1)-O(11) bond length is 1.37 Å. The B(1)-O(17) bond length is 1.38 Å. The B(1)-O(3) bond length is 1.41 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(13), one O(4), and one O(7) atom. The B(2)-O(13) bond length is 1.38 Å. The B(2)-O(4) bond length is 1.38 Å. The B(2)-O(7) bond length is 1.40 Å. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(14), one O(5), and one O(9) atom. The B(3)-O(14) bond length is 1.40 Å. The B(3)-O(5) bond length is 1.37 Å. The B(3)-O(9) bond length is 1.40 Å. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(12), one O(18), and one O(2) atom. The B(4)-O(12) bond length is 1.40 Å. The B(4)-O(18) bond length is 1.38 Å. The B(4)-O(2) bond length is 1.38 Å. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(15), one O(6), and one O(8) atom. The B(5)-O(15) bond length is 1.40 Å. The B(5)-O(6) bond length is 1.36 Å. The B(5)-O(8) bond length is 1.38 Å. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(1), one O(10), and one O(16) atom. The B(6)-O(1) bond length is 1.37 Å. The B(6)-O(10) bond length is 1.38 Å. The B(6)-O(16) bond length is 1.40 Å. In the seventh B site, B(7) is bonded in a trigonal planar geometry to one O(20), one O(23), and one O(26) atom. The B(7)-O(20) bond length is 1.41 Å. The B(7)-O(23) bond length is 1.41 Å. The B(7)-O(26) bond length is 1.36 Å. In the eighth B site, B(8) is bonded in a trigonal planar geometry to one O(19), one O(24), and one O(25) atom. The B(8)-O(19) bond length is 1.40 Å. The B(8)-O(24) bond length is 1.40 Å. The B(8)-O(25) bond length is 1.39 Å. In the ninth B site, B(9) is bonded in a trigonal planar geometry to one O(21), one O(22), and one O(27) atom. The B(9)-O(21) bond length is 1.40 Å. The B(9)-O(22) bond length is 1.39 Å. The B(9)-O(27) bond length is 1.38 Å. There are twenty-seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(4), and one B(6) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(5), and one B(4) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Mn(6), and one B(1) atom to form corner-sharing OLi2MnB tetrahedra. In the fourth O site, O(4) is bonded to one Li(2), one Mn(7), one Mn(8), and one B(2) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(12)Li2MnB tetrahedra,  a cornercorner with one O(3)Li2MnB tetrahedra,  a cornercorner with one O(13)LiMn2B tetrahedra,  a cornercorner with one O(24)LiMn2B tetrahedra, and  a cornercorner with one O(5)LiMn2B tetrahedra. In the fifth O site, O(5) is bonded to one Li(1), one Mn(7), one Mn(9), and one B(3) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(12)Li2MnB tetrahedra,  a cornercorner with one O(3)Li2MnB tetrahedra,  a cornercorner with one O(14)LiMn2B tetrahedra,  a cornercorner with one O(23)LiMn2B tetrahedra,  a cornercorner with one O(4)LiMn2B tetrahedra, and  a cornercorner with one O(9)LiMn2B tetrahedra. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(8), one Mn(9), and one B(5) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mn(5), one Mn(6), and one B(2) atom. In the eighth O site, O(8) is bonded to one Li(6), one Mn(4), one Mn(5), and one B(5) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(16)Li2MnB tetrahedra and  a cornercorner with one O(9)LiMn2B tetrahedra. In the ninth O site, O(9) is bonded to one Li(5), one Mn(4), one Mn(6), and one B(3) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(16)Li2MnB tetrahedra,  a cornercorner with one O(3)Li2MnB tetrahedra,  a cornercorner with one O(14)LiMn2B tetrahedra,  a cornercorner with one O(5)LiMn2B tetrahedra, and  a cornercorner with one O(8)LiMn2B tetrahedra. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(8), and one B(6) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(9), and one B(1) atom. In the twelfth O site, O(12) is bonded to one Li(3), one Li(4), one Mn(7), and one B(4) atom to form corner-sharing OLi2MnB tetrahedra. In the thirteenth O site, O(13) is bonded to one Li(3), one Mn(1), one Mn(3), and one B(2) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(12)Li2MnB tetrahedra,  a cornercorner with one O(14)LiMn2B tetrahedra,  a cornercorner with one O(23)LiMn2B tetrahedra,  a cornercorner with one O(4)LiMn2B tetrahedra, and  an edgeedge with one O(24)LiMn2B tetrahedra. In the fourteenth O site, O(14) is bonded to one Li(4), one Mn(1), one Mn(2), and one B(3) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(12)Li2MnB tetrahedra,  a cornercorner with one O(16)Li2MnB tetrahedra,  a cornercorner with one O(13)LiMn2B tetrahedra,  a cornercorner with one O(24)LiMn2B tetrahedra,  a cornercorner with one O(5)LiMn2B tetrahedra,  a cornercorner with one O(9)LiMn2B tetrahedra, and  an edgeedge with one O(23)LiMn2B tetrahedra. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one B(5) atom. In the sixteenth O site, O(16) is bonded to one Li(5), one Li(6), one Mn(2), and one B(6) atom to form corner-sharing OLi2MnB tetrahedra. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one Li(5), one Mn(1), and one B(1) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(6), one Mn(3), and one B(4) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Li(3), one Mn(4), one Mn(5), and one B(8) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Li(4), one Mn(5), one Mn(6), and one B(7) atom. In the twenty-first O site, O(21) is bonded in a distorted trigonal non-coplanar geometry to one Mn(4), one Mn(6), and one B(9) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one B(9) atom. In the twenty-third O site, O(23) is bonded to one Li(1), one Mn(1), one Mn(2), and one B(7) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(16)Li2MnB tetrahedra,  a cornercorner with one O(3)Li2MnB tetrahedra,  a cornercorner with one O(13)LiMn2B tetrahedra,  a cornercorner with one O(24)LiMn2B tetrahedra,  a cornercorner with one O(5)LiMn2B tetrahedra, and  an edgeedge with one O(14)LiMn2B tetrahedra. In the twenty-fourth O site, O(24) is bonded to one Li(2), one Mn(1), one Mn(3), and one B(8) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(3)Li2MnB tetrahedra,  a cornercorner with one O(14)LiMn2B tetrahedra,  a cornercorner with one O(23)LiMn2B tetrahedra,  a cornercorner with one O(4)LiMn2B tetrahedra, and  an edgeedge with one O(13)LiMn2B tetrahedra. In the twenty-fifth O site, O(25) is bonded in a distorted rectangular see-saw-like geometry to one Li(6), one Mn(7), one Mn(8), and one B(8) atom. In the twenty-sixth O site, O(26) is bonded in a 3-coordinate geometry to one Mn(7), one Mn(9), and one B(7) atom. In the twenty-seventh O site, O(27) is bonded in a 4-coordinate geometry to one Li(5), one Mn(8), one Mn(9), and one B(9) atom.