LiMnBO3 crystallizes in the triclinic P1 space group. There are nine inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(15), two equivalent O(1), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded to one O(5), two equivalent O(2), and two equivalent O(6) atoms to form distorted LiO5 square pyramids that share corners with two equivalent Mn(8)O4 tetrahedra and edges with two equivalent Li(2)O5 square pyramids. In the third Li site, Li(3) is bonded to one O(4), two equivalent O(7), and two equivalent O(9) atoms to form distorted LiO5 square pyramids that share corners with two equivalent Mn(6)O4 tetrahedra and edges with two equivalent Li(3)O5 square pyramids. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(27), two equivalent O(10), and two equivalent O(8) atoms. In the fifth Li site, Li(5) is bonded to one O(16), two equivalent O(11), and two equivalent O(14) atoms to form distorted LiO5 square pyramids that share corners with two equivalent Mn(5)O4 tetrahedra and edges with two equivalent Li(5)O5 square pyramids. In the sixth Li site, Li(6) is bonded to one O(18), two equivalent O(13), and two equivalent O(21) atoms to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Mn(3)O4 tetrahedra, corners with two equivalent Mn(5)O4 tetrahedra, corners with two equivalent Mn(6)O4 tetrahedra, and edges with two equivalent Li(6)O5 trigonal bipyramids. In the seventh Li site, Li(7) is bonded in a 5-coordinate geometry to one O(20), two equivalent O(12), and two equivalent O(19) atoms. In the eighth Li site, Li(8) is bonded to one O(17), two equivalent O(23), and two equivalent O(24) atoms to form distorted LiO5 square pyramids that share corners with two equivalent Mn(5)O4 tetrahedra, corners with two equivalent Mn(7)O4 tetrahedra, corners with two equivalent Mn(8)O4 tetrahedra, and edges with two equivalent Li(8)O5 square pyramids. In the ninth Li site, Li(9) is bonded in a 5-coordinate geometry to one O(26), two equivalent O(22), and two equivalent O(25) atoms. There are nine inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(7), and two equivalent O(4) atoms. In the second Mn site, Mn(2) is bonded in a distorted rectangular see-saw-like geometry to one O(10), one O(6), and two equivalent O(5) atoms. In the third Mn site, Mn(3) is bonded to one O(13), one O(8), and two equivalent O(15) atoms to form distorted MnO4 tetrahedra that share corners with two equivalent Mn(3)O4 tetrahedra and corners with two equivalent Li(6)O5 trigonal bipyramids. In the fourth Mn site, Mn(4) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(12), and two equivalent O(16) atoms. In the fifth Mn site, Mn(5) is bonded to one O(14), one O(21), and two equivalent O(17) atoms to form MnO4 tetrahedra that share corners with two equivalent Li(5)O5 square pyramids, corners with two equivalent Li(8)O5 square pyramids, corners with two equivalent Mn(5)O4 tetrahedra, and corners with two equivalent Li(6)O5 trigonal bipyramids. In the sixth Mn site, Mn(6) is bonded to one O(22), one O(9), and two equivalent O(18) atoms to form MnO4 tetrahedra that share corners with two equivalent Li(3)O5 square pyramids, corners with two equivalent Mn(6)O4 tetrahedra, and corners with two equivalent Li(6)O5 trigonal bipyramids. In the seventh Mn site, Mn(7) is bonded to one O(1), one O(24), and two equivalent O(20) atoms to form distorted MnO4 tetrahedra that share corners with two equivalent Li(8)O5 square pyramids and corners with two equivalent Mn(7)O4 tetrahedra. In the eighth Mn site, Mn(8) is bonded to one O(2), one O(23), and two equivalent O(26) atoms to form MnO4 tetrahedra that share corners with two equivalent Li(2)O5 square pyramids, corners with two equivalent Li(8)O5 square pyramids, and corners with two equivalent Mn(8)O4 tetrahedra. In the ninth Mn site, Mn(9) is bonded to one O(19), one O(25), and two equivalent O(27) atoms to form distorted corner-sharing MnO4 tetrahedra. There are nine inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(24), and one O(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(11), one O(6), and one O(7) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(10), one O(13), and one O(14) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(12), one O(25), and one O(9) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(15), one O(18), and one O(4) atom. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(16), one O(17), and one O(20) atom. In the seventh B site, B(7) is bonded in a trigonal planar geometry to one O(21), one O(22), and one O(23) atom. In the eighth B site, B(8) is bonded in a trigonal planar geometry to one O(1), one O(19), and one O(8) atom. In the ninth B site, B(9) is bonded in a trigonal planar geometry to one O(26), one O(27), and one O(5) atom. There are twenty-seven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Mn(7), and one B(8) atom. In the second O site, O(2) is bonded to two equivalent Li(2), one Mn(8), and one B(1) atom to form distorted OLi2MnB tetrahedra that share corners with two equivalent O(2)Li2MnB tetrahedra and corners with two equivalent O(26)LiMn2B tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Mn(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(3), two equivalent Mn(1), and one B(5) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), two equivalent Mn(2), and one B(9) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Mn(2), and one B(2) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(3), one Mn(1), and one B(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to two equivalent Li(4), one Mn(3), and one B(8) atom. In the ninth O site, O(9) is bonded to two equivalent Li(3), one Mn(6), and one B(4) atom to form distorted OLi2MnB tetrahedra that share corners with two equivalent O(9)Li2MnB tetrahedra and corners with two equivalent O(18)LiMn2B tetrahedra. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to two equivalent Li(4), one Mn(2), and one B(3) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to two equivalent Li(5), one Mn(4), and one B(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to two equivalent Li(7), one Mn(4), and one B(4) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to two equivalent Li(6), one Mn(3), and one B(3) atom. In the fourteenth O site, O(14) is bonded to two equivalent Li(5), one Mn(5), and one B(3) atom to form distorted OLi2MnB tetrahedra that share corners with two equivalent O(14)Li2MnB tetrahedra and corners with two equivalent O(17)LiMn2B tetrahedra. In the fifteenth O site, O(15) is bonded to one Li(1), two equivalent Mn(3), and one B(5) atom to form distorted corner-sharing OLiMn2B tetrahedra. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(5), two equivalent Mn(4), and one B(6) atom. In the seventeenth O site, O(17) is bonded to one Li(8), two equivalent Mn(5), and one B(6) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(20)LiMn2B tetrahedra, corners with two equivalent O(14)Li2MnB tetrahedra, and corners with two equivalent O(17)LiMn2B tetrahedra. In the eighteenth O site, O(18) is bonded to one Li(6), two equivalent Mn(6), and one B(5) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(15)LiMn2B tetrahedra, corners with two equivalent O(9)Li2MnB tetrahedra, and corners with two equivalent O(18)LiMn2B tetrahedra. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to two equivalent Li(7), one Mn(9), and one B(8) atom. In the twentieth O site, O(20) is bonded to one Li(7), two equivalent Mn(7), and one B(6) atom to form distorted corner-sharing OLiMn2B tetrahedra. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to two equivalent Li(6), one Mn(5), and one B(7) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to two equivalent Li(9), one Mn(6), and one B(7) atom. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to two equivalent Li(8), one Mn(8), and one B(7) atom. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to two equivalent Li(8), one Mn(7), and one B(1) atom. In the twenty-fifth O site, O(25) is bonded in a 4-coordinate geometry to two equivalent Li(9), one Mn(9), and one B(4) atom. In the twenty-sixth O site, O(26) is bonded to one Li(9), two equivalent Mn(8), and one B(9) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(27)LiMn2B tetrahedra, corners with two equivalent O(2)Li2MnB tetrahedra, and corners with two equivalent O(26)LiMn2B tetrahedra. In the twenty-seventh O site, O(27) is bonded to one Li(4), two equivalent Mn(9), and one B(9) atom to form distorted corner-sharing OLiMn2B tetrahedra.
LiMnBO3 crystallizes in the triclinic P1 space group. There are nine inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one O(15), two equivalent O(1), and two equivalent O(3) atoms. The Li(1)-O(15) bond length is 2.06 Å. There is one shorter (2.15 Å) and one longer (2.16 Å) Li(1)-O(1) bond length. There is one shorter (2.14 Å) and one longer (2.56 Å) Li(1)-O(3) bond length. In the second Li site, Li(2) is bonded to one O(5), two equivalent O(2), and two equivalent O(6) atoms to form distorted LiO5 square pyramids that share corners with two equivalent Mn(8)O4 tetrahedra and edges with two equivalent Li(2)O5 square pyramids. The Li(2)-O(5) bond length is 2.09 Å. There is one shorter (2.12 Å) and one longer (2.19 Å) Li(2)-O(2) bond length. There is one shorter (2.10 Å) and one longer (2.24 Å) Li(2)-O(6) bond length. In the third Li site, Li(3) is bonded to one O(4), two equivalent O(7), and two equivalent O(9) atoms to form distorted LiO5 square pyramids that share corners with two equivalent Mn(6)O4 tetrahedra and edges with two equivalent Li(3)O5 square pyramids. The Li(3)-O(4) bond length is 2.10 Å. There is one shorter (2.13 Å) and one longer (2.20 Å) Li(3)-O(7) bond length. There is one shorter (2.13 Å) and one longer (2.18 Å) Li(3)-O(9) bond length. In the fourth Li site, Li(4) is bonded in a 5-coordinate geometry to one O(27), two equivalent O(10), and two equivalent O(8) atoms. The Li(4)-O(27) bond length is 2.05 Å. There is one shorter (2.16 Å) and one longer (2.53 Å) Li(4)-O(10) bond length. There is one shorter (2.12 Å) and one longer (2.21 Å) Li(4)-O(8) bond length. In the fifth Li site, Li(5) is bonded to one O(16), two equivalent O(11), and two equivalent O(14) atoms to form distorted LiO5 square pyramids that share corners with two equivalent Mn(5)O4 tetrahedra and edges with two equivalent Li(5)O5 square pyramids. The Li(5)-O(16) bond length is 2.09 Å. There is one shorter (2.08 Å) and one longer (2.27 Å) Li(5)-O(11) bond length. There is one shorter (2.14 Å) and one longer (2.17 Å) Li(5)-O(14) bond length. In the sixth Li site, Li(6) is bonded to one O(18), two equivalent O(13), and two equivalent O(21) atoms to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Mn(3)O4 tetrahedra, corners with two equivalent Mn(5)O4 tetrahedra, corners with two equivalent Mn(6)O4 tetrahedra, and edges with two equivalent Li(6)O5 trigonal bipyramids. The Li(6)-O(18) bond length is 2.04 Å. There is one shorter (2.08 Å) and one longer (2.42 Å) Li(6)-O(13) bond length. There is one shorter (2.15 Å) and one longer (2.17 Å) Li(6)-O(21) bond length. In the seventh Li site, Li(7) is bonded in a 5-coordinate geometry to one O(20), two equivalent O(12), and two equivalent O(19) atoms. The Li(7)-O(20) bond length is 2.06 Å. There is one shorter (2.12 Å) and one longer (2.59 Å) Li(7)-O(12) bond length. There is one shorter (2.13 Å) and one longer (2.18 Å) Li(7)-O(19) bond length. In the eighth Li site, Li(8) is bonded to one O(17), two equivalent O(23), and two equivalent O(24) atoms to form distorted LiO5 square pyramids that share corners with two equivalent Mn(5)O4 tetrahedra, corners with two equivalent Mn(7)O4 tetrahedra, corners with two equivalent Mn(8)O4 tetrahedra, and edges with two equivalent Li(8)O5 square pyramids. The Li(8)-O(17) bond length is 2.04 Å. There is one shorter (2.16 Å) and one longer (2.18 Å) Li(8)-O(23) bond length. There is one shorter (2.13 Å) and one longer (2.34 Å) Li(8)-O(24) bond length. In the ninth Li site, Li(9) is bonded in a 5-coordinate geometry to one O(26), two equivalent O(22), and two equivalent O(25) atoms. The Li(9)-O(26) bond length is 2.04 Å. There is one shorter (2.15 Å) and one longer (2.17 Å) Li(9)-O(22) bond length. There is one shorter (2.07 Å) and one longer (2.45 Å) Li(9)-O(25) bond length. There are nine inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(7), and two equivalent O(4) atoms. The Mn(1)-O(3) bond length is 2.01 Å. The Mn(1)-O(7) bond length is 2.07 Å. There is one shorter (2.15 Å) and one longer (2.16 Å) Mn(1)-O(4) bond length. In the second Mn site, Mn(2) is bonded in a distorted rectangular see-saw-like geometry to one O(10), one O(6), and two equivalent O(5) atoms. The Mn(2)-O(10) bond length is 2.01 Å. The Mn(2)-O(6) bond length is 2.07 Å. There is one shorter (2.14 Å) and one longer (2.17 Å) Mn(2)-O(5) bond length. In the third Mn site, Mn(3) is bonded to one O(13), one O(8), and two equivalent O(15) atoms to form distorted MnO4 tetrahedra that share corners with two equivalent Mn(3)O4 tetrahedra and corners with two equivalent Li(6)O5 trigonal bipyramids. The Mn(3)-O(13) bond length is 2.03 Å. The Mn(3)-O(8) bond length is 2.07 Å. There is one shorter (2.12 Å) and one longer (2.14 Å) Mn(3)-O(15) bond length. In the fourth Mn site, Mn(4) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(12), and two equivalent O(16) atoms. The Mn(4)-O(11) bond length is 2.07 Å. The Mn(4)-O(12) bond length is 2.01 Å. There is one shorter (2.14 Å) and one longer (2.17 Å) Mn(4)-O(16) bond length. In the fifth Mn site, Mn(5) is bonded to one O(14), one O(21), and two equivalent O(17) atoms to form MnO4 tetrahedra that share corners with two equivalent Li(5)O5 square pyramids, corners with two equivalent Li(8)O5 square pyramids, corners with two equivalent Mn(5)O4 tetrahedra, and corners with two equivalent Li(6)O5 trigonal bipyramids. The Mn(5)-O(14) bond length is 2.05 Å. The Mn(5)-O(21) bond length is 2.06 Å. Both Mn(5)-O(17) bond lengths are 2.14 Å. In the sixth Mn site, Mn(6) is bonded to one O(22), one O(9), and two equivalent O(18) atoms to form MnO4 tetrahedra that share corners with two equivalent Li(3)O5 square pyramids, corners with two equivalent Mn(6)O4 tetrahedra, and corners with two equivalent Li(6)O5 trigonal bipyramids. The Mn(6)-O(22) bond length is 2.06 Å. The Mn(6)-O(9) bond length is 2.04 Å. There is one shorter (2.14 Å) and one longer (2.15 Å) Mn(6)-O(18) bond length. In the seventh Mn site, Mn(7) is bonded to one O(1), one O(24), and two equivalent O(20) atoms to form distorted MnO4 tetrahedra that share corners with two equivalent Li(8)O5 square pyramids and corners with two equivalent Mn(7)O4 tetrahedra. The Mn(7)-O(1) bond length is 2.07 Å. The Mn(7)-O(24) bond length is 2.03 Å. Both Mn(7)-O(20) bond lengths are 2.13 Å. In the eighth Mn site, Mn(8) is bonded to one O(2), one O(23), and two equivalent O(26) atoms to form MnO4 tetrahedra that share corners with two equivalent Li(2)O5 square pyramids, corners with two equivalent Li(8)O5 square pyramids, and corners with two equivalent Mn(8)O4 tetrahedra. The Mn(8)-O(2) bond length is 2.05 Å. The Mn(8)-O(23) bond length is 2.06 Å. There is one shorter (2.14 Å) and one longer (2.15 Å) Mn(8)-O(26) bond length. In the ninth Mn site, Mn(9) is bonded to one O(19), one O(25), and two equivalent O(27) atoms to form distorted corner-sharing MnO4 tetrahedra. The Mn(9)-O(19) bond length is 2.07 Å. The Mn(9)-O(25) bond length is 2.03 Å. There is one shorter (2.12 Å) and one longer (2.14 Å) Mn(9)-O(27) bond length. There are nine inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(24), and one O(3) atom. The B(1)-O(2) bond length is 1.40 Å. The B(1)-O(24) bond length is 1.39 Å. The B(1)-O(3) bond length is 1.40 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(11), one O(6), and one O(7) atom. The B(2)-O(11) bond length is 1.39 Å. The B(2)-O(6) bond length is 1.38 Å. The B(2)-O(7) bond length is 1.39 Å. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(10), one O(13), and one O(14) atom. The B(3)-O(10) bond length is 1.40 Å. The B(3)-O(13) bond length is 1.39 Å. The B(3)-O(14) 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(25), and one O(9) atom. The B(4)-O(12) bond length is 1.40 Å. The B(4)-O(25) bond length is 1.39 Å. The B(4)-O(9) bond length is 1.40 Å. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(15), one O(18), and one O(4) atom. The B(5)-O(15) bond length is 1.39 Å. The B(5)-O(18) bond length is 1.40 Å. The B(5)-O(4) bond length is 1.38 Å. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(16), one O(17), and one O(20) atom. The B(6)-O(16) bond length is 1.38 Å. The B(6)-O(17) bond length is 1.40 Å. The B(6)-O(20) bond length is 1.39 Å. In the seventh B site, B(7) is bonded in a trigonal planar geometry to one O(21), one O(22), and one O(23) atom. The B(7)-O(21) bond length is 1.39 Å. The B(7)-O(22) bond length is 1.39 Å. The B(7)-O(23) bond length is 1.39 Å. In the eighth B site, B(8) is bonded in a trigonal planar geometry to one O(1), one O(19), and one O(8) atom. The B(8)-O(1) bond length is 1.39 Å. The B(8)-O(19) bond length is 1.39 Å. The B(8)-O(8) bond length is 1.39 Å. In the ninth B site, B(9) is bonded in a trigonal planar geometry to one O(26), one O(27), and one O(5) atom. The B(9)-O(26) bond length is 1.40 Å. The B(9)-O(27) bond length is 1.39 Å. The B(9)-O(5) bond length is 1.37 Å. There are twenty-seven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Mn(7), and one B(8) atom. In the second O site, O(2) is bonded to two equivalent Li(2), one Mn(8), and one B(1) atom to form distorted OLi2MnB tetrahedra that share corners with two equivalent O(2)Li2MnB tetrahedra and corners with two equivalent O(26)LiMn2B tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Mn(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(3), two equivalent Mn(1), and one B(5) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), two equivalent Mn(2), and one B(9) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Mn(2), and one B(2) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(3), one Mn(1), and one B(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to two equivalent Li(4), one Mn(3), and one B(8) atom. In the ninth O site, O(9) is bonded to two equivalent Li(3), one Mn(6), and one B(4) atom to form distorted OLi2MnB tetrahedra that share corners with two equivalent O(9)Li2MnB tetrahedra and corners with two equivalent O(18)LiMn2B tetrahedra. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to two equivalent Li(4), one Mn(2), and one B(3) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to two equivalent Li(5), one Mn(4), and one B(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to two equivalent Li(7), one Mn(4), and one B(4) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to two equivalent Li(6), one Mn(3), and one B(3) atom. In the fourteenth O site, O(14) is bonded to two equivalent Li(5), one Mn(5), and one B(3) atom to form distorted OLi2MnB tetrahedra that share corners with two equivalent O(14)Li2MnB tetrahedra and corners with two equivalent O(17)LiMn2B tetrahedra. In the fifteenth O site, O(15) is bonded to one Li(1), two equivalent Mn(3), and one B(5) atom to form distorted corner-sharing OLiMn2B tetrahedra. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(5), two equivalent Mn(4), and one B(6) atom. In the seventeenth O site, O(17) is bonded to one Li(8), two equivalent Mn(5), and one B(6) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(20)LiMn2B tetrahedra, corners with two equivalent O(14)Li2MnB tetrahedra, and corners with two equivalent O(17)LiMn2B tetrahedra. In the eighteenth O site, O(18) is bonded to one Li(6), two equivalent Mn(6), and one B(5) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(15)LiMn2B tetrahedra, corners with two equivalent O(9)Li2MnB tetrahedra, and corners with two equivalent O(18)LiMn2B tetrahedra. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to two equivalent Li(7), one Mn(9), and one B(8) atom. In the twentieth O site, O(20) is bonded to one Li(7), two equivalent Mn(7), and one B(6) atom to form distorted corner-sharing OLiMn2B tetrahedra. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to two equivalent Li(6), one Mn(5), and one B(7) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to two equivalent Li(9), one Mn(6), and one B(7) atom. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to two equivalent Li(8), one Mn(8), and one B(7) atom. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to two equivalent Li(8), one Mn(7), and one B(1) atom. In the twenty-fifth O site, O(25) is bonded in a 4-coordinate geometry to two equivalent Li(9), one Mn(9), and one B(4) atom. In the twenty-sixth O site, O(26) is bonded to one Li(9), two equivalent Mn(8), and one B(9) atom to form distorted OLiMn2B tetrahedra that share  a cornercorner with one O(27)LiMn2B tetrahedra, corners with two equivalent O(2)Li2MnB tetrahedra, and corners with two equivalent O(26)LiMn2B tetrahedra. In the twenty-seventh O site, O(27) is bonded to one Li(4), two equivalent Mn(9), and one B(9) atom to form distorted corner-sharing OLiMn2B tetrahedra.