Li11Mn11O26 crystallizes in the monoclinic Cm space group. There are eleven inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(5), and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, and edges with two equivalent Li(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 27-56°. In the second Li site, Li(2) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Li(2)O4 trigonal pyramids, and edges with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 63°. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(11), one O(12), two equivalent O(10), and two equivalent O(13) atoms. In the fourth Li site, Li(4) is bonded to one O(13), one O(14), two equivalent O(12), and two equivalent O(15) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with three equivalent Mn(4)O6 octahedra, and edges with three equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the fifth Li site, Li(5) is bonded to one O(15), one O(16), two equivalent O(14), and two equivalent O(17) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra, corners with two equivalent Mn(7)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with three equivalent Mn(6)O6 octahedra, and edges with three equivalent Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the sixth Li site, Li(6) is bonded to one O(17), one O(18), two equivalent O(16), and two equivalent O(19) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(10)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra, corners with two equivalent Mn(7)O6 octahedra, corners with two equivalent Mn(8)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with three equivalent Mn(7)O6 octahedra, and edges with three equivalent Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the seventh Li site, Li(7) is bonded to one O(19), one O(20), two equivalent O(18), and two equivalent O(21) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Mn(9)O6 octahedra, corners with two equivalent Mn(10)O6 octahedra, corners with two equivalent Mn(8)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with three equivalent Mn(10)O6 octahedra, and edges with three equivalent Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the eighth Li site, Li(8) is bonded to one O(21), one O(22), two equivalent O(20), and two equivalent O(23) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(11)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra, corners with two equivalent Mn(10)O6 octahedra, corners with two equivalent Mn(9)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, edges with three equivalent Mn(10)O6 octahedra, and edges with three equivalent Mn(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the ninth Li site, Li(9) is bonded to one O(23), one O(24), two equivalent O(22), and two equivalent O(25) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Mn(10)O6 octahedra, corners with two equivalent Mn(11)O6 octahedra, corners with two equivalent Mn(9)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, edges with three equivalent Mn(11)O6 octahedra, and edges with three equivalent Mn(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-20°. In the tenth Li site, Li(10) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(24), and two equivalent O(26) atoms. In the eleventh Li site, Li(11) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(26) atoms. There are eleven inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form distorted MnO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 trigonal pyramids, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(4), one O(9), two equivalent O(6), and two equivalent O(7) atoms to form edge-sharing MnO6 octahedra. In the third Mn site, Mn(3) is bonded to one O(11), one O(6), two equivalent O(8), and two equivalent O(9) atoms to form edge-sharing MnO6 octahedra. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(15), two equivalent O(12), and two equivalent O(13) atoms to form MnO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, edges with two equivalent Mn(6)O6 octahedra, and edges with three equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. In the fifth Mn site, Mn(5) is bonded to one O(13), one O(8), two equivalent O(10), and two equivalent O(11) atoms to form MnO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. In the sixth Mn site, Mn(6) is bonded to one O(12), one O(17), two equivalent O(14), and two equivalent O(15) atoms to form MnO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with two equivalent Mn(6)O6 octahedra, edges with two equivalent Mn(7)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, and edges with three equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the seventh Mn site, Mn(7) is bonded to one O(14), one O(19), two equivalent O(16), and two equivalent O(17) atoms to form MnO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Li(6)O6 octahedra, edges with two equivalent Mn(6)O6 octahedra, edges with two equivalent Mn(7)O6 octahedra, edges with two equivalent Mn(8)O6 octahedra, edges with three equivalent Li(5)O6 octahedra, and edges with three equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. In the eighth Mn site, Mn(8) is bonded to one O(16), one O(21), two equivalent O(18), and two equivalent O(19) atoms to form MnO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra, corners with two equivalent Li(6)O6 octahedra, corners with two equivalent Li(7)O6 octahedra, edges with two equivalent Mn(10)O6 octahedra, edges with two equivalent Mn(7)O6 octahedra, edges with two equivalent Mn(8)O6 octahedra, edges with three equivalent Li(6)O6 octahedra, and edges with three equivalent Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the ninth Mn site, Mn(9) is bonded to one O(20), one O(25), two equivalent O(22), and two equivalent O(23) atoms to form MnO6 octahedra that share  a cornercorner with one Li(7)O6 octahedra, corners with two equivalent Li(8)O6 octahedra, corners with two equivalent Li(9)O6 octahedra, edges with two equivalent Mn(10)O6 octahedra, edges with two equivalent Mn(11)O6 octahedra, edges with two equivalent Mn(9)O6 octahedra, edges with three equivalent Li(8)O6 octahedra, and edges with three equivalent Li(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. In the tenth Mn site, Mn(10) is bonded to one O(18), one O(23), two equivalent O(20), and two equivalent O(21) atoms to form MnO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra, corners with two equivalent Li(7)O6 octahedra, corners with two equivalent Li(8)O6 octahedra, edges with two equivalent Mn(10)O6 octahedra, edges with two equivalent Mn(8)O6 octahedra, edges with two equivalent Mn(9)O6 octahedra, edges with three equivalent Li(7)O6 octahedra, and edges with three equivalent Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. In the eleventh Mn site, Mn(11) is bonded to one O(22), one O(26), two equivalent O(24), and two equivalent O(25) atoms to form distorted MnO6 octahedra that share  a cornercorner with one Li(8)O6 octahedra, corners with two equivalent Li(9)O6 octahedra, edges with two equivalent Mn(11)O6 octahedra, edges with two equivalent Mn(9)O6 octahedra, and edges with three equivalent Li(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-20°. There are twenty-six inequivalent O sites. In the first O site, O(1) is bonded to one Li(10), one Li(2), and two equivalent Li(11) atoms to form distorted corner-sharing OLi4 tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Li(2), and one Mn(1) atom. In the third O site, O(3) is bonded to one Li(11), one Li(2), and two equivalent Li(1) atoms to form distorted corner-sharing OLi4 tetrahedra. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mn(3) and two equivalent Mn(2) atoms. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mn(1) and two equivalent Mn(2) atoms. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Mn(5) and two equivalent Mn(3) atoms. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Mn(2) and two equivalent Mn(3) atoms. In the tenth O site, O(10) is bonded to two equivalent Li(3), one Mn(4), and two equivalent Mn(5) atoms to form OLi2Mn3 square pyramids that share  a cornercorner with one O(15)Li3Mn3 octahedra, corners with two equivalent O(13)Li3Mn3 octahedra, edges with two equivalent O(12)Li3Mn3 octahedra, edges with three equivalent O(13)Li3Mn3 octahedra, and edges with two equivalent O(10)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 1-22°. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(3), one Mn(3), and two equivalent Mn(5) atoms. In the twelfth O site, O(12) is bonded to one Li(3), two equivalent Li(4), one Mn(6), and two equivalent Mn(4) atoms to form distorted OLi3Mn3 octahedra that share  a cornercorner with one O(17)Li3Mn3 octahedra, corners with two equivalent O(13)Li3Mn3 octahedra, corners with two equivalent O(15)Li3Mn3 octahedra, edges with two equivalent O(12)Li3Mn3 octahedra, edges with two equivalent O(14)Li3Mn3 octahedra, edges with three equivalent O(13)Li3Mn3 octahedra, edges with three equivalent O(15)Li3Mn3 octahedra, and edges with two equivalent O(10)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 1-9°. In the thirteenth O site, O(13) is bonded to one Li(4), two equivalent Li(3), one Mn(5), and two equivalent Mn(4) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(14)Li3Mn3 octahedra, corners with two equivalent O(12)Li3Mn3 octahedra, corners with two equivalent O(10)Li2Mn3 square pyramids, edges with two equivalent O(13)Li3Mn3 octahedra, edges with two equivalent O(15)Li3Mn3 octahedra, edges with three equivalent O(12)Li3Mn3 octahedra, and edges with three equivalent O(10)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 1-4°. In the fourteenth O site, O(14) is bonded to one Li(4), two equivalent Li(5), one Mn(7), and two equivalent Mn(6) atoms to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fifteenth O site, O(15) is bonded to one Li(5), two equivalent Li(4), one Mn(4), and two equivalent Mn(6) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(16)Li3Mn3 octahedra, corners with two equivalent O(12)Li3Mn3 octahedra, corners with two equivalent O(14)Li3Mn3 octahedra,  a cornercorner with one O(10)Li2Mn3 square pyramid, edges with two equivalent O(13)Li3Mn3 octahedra, edges with two equivalent O(15)Li3Mn3 octahedra, edges with two equivalent O(17)Li3Mn3 octahedra, edges with three equivalent O(12)Li3Mn3 octahedra, and edges with three equivalent O(14)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the sixteenth O site, O(16) is bonded to one Li(5), two equivalent Li(6), one Mn(8), and two equivalent Mn(7) atoms to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the seventeenth O site, O(17) is bonded to one Li(6), two equivalent Li(5), one Mn(6), and two equivalent Mn(7) atoms to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the eighteenth O site, O(18) is bonded to one Li(6), two equivalent Li(7), one Mn(10), and two equivalent Mn(8) atoms to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the nineteenth O site, O(19) is bonded to one Li(7), two equivalent Li(6), one Mn(7), and two equivalent Mn(8) atoms to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles are 1°. In the twentieth O site, O(20) is bonded to one Li(7), two equivalent Li(8), one Mn(9), and two equivalent Mn(10) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(19)Li3Mn3 octahedra, corners with two equivalent O(21)Li3Mn3 octahedra, corners with two equivalent O(23)Li3Mn3 octahedra,  a cornercorner with one O(25)Li2Mn3 square pyramid, edges with two equivalent O(18)Li3Mn3 octahedra, edges with two equivalent O(20)Li3Mn3 octahedra, edges with two equivalent O(22)Li3Mn3 octahedra, edges with three equivalent O(21)Li3Mn3 octahedra, and edges with three equivalent O(23)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the twenty-first O site, O(21) is bonded to one Li(8), two equivalent Li(7), one Mn(8), and two equivalent Mn(10) atoms to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the twenty-second O site, O(22) is bonded to one Li(8), two equivalent Li(9), one Mn(11), and two equivalent Mn(9) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(21)Li3Mn3 octahedra, corners with two equivalent O(23)Li3Mn3 octahedra, corners with two equivalent O(25)Li2Mn3 square pyramids, edges with two equivalent O(20)Li3Mn3 octahedra, edges with two equivalent O(22)Li3Mn3 octahedra, edges with three equivalent O(23)Li3Mn3 octahedra, and edges with three equivalent O(25)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 3-4°. In the twenty-third O site, O(23) is bonded to one Li(9), two equivalent Li(8), one Mn(10), and two equivalent Mn(9) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(18)Li3Mn3 octahedra, corners with two equivalent O(20)Li3Mn3 octahedra, corners with two equivalent O(22)Li3Mn3 octahedra, edges with two equivalent O(21)Li3Mn3 octahedra, edges with two equivalent O(23)Li3Mn3 octahedra, edges with three equivalent O(20)Li3Mn3 octahedra, edges with three equivalent O(22)Li3Mn3 octahedra, and edges with two equivalent O(25)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 1-5°. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(9), two equivalent Li(10), and two equivalent Mn(11) atoms. In the twenty-fifth O site, O(25) is bonded to two equivalent Li(9), one Mn(9), and two equivalent Mn(11) atoms to form OLi2Mn3 square pyramids that share  a cornercorner with one O(20)Li3Mn3 octahedra, corners with two equivalent O(22)Li3Mn3 octahedra, edges with two equivalent O(23)Li3Mn3 octahedra, edges with three equivalent O(22)Li3Mn3 octahedra, and edges with two equivalent O(25)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 1-15°. In the twenty-sixth O site, O(26) is bonded in a 5-coordinate geometry to two equivalent Li(10), two equivalent Li(11), and one Mn(11) atom.
Li11Mn11O26 crystallizes in the monoclinic Cm space group. There are eleven inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(5), and two equivalent O(3) atoms to form distorted LiO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, and edges with two equivalent Li(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 27-56°. The Li(1)-O(2) bond length is 1.93 Å. The Li(1)-O(5) bond length is 1.96 Å. Both Li(1)-O(3) bond lengths are 1.97 Å. In the second Li site, Li(2) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Li(2)O4 trigonal pyramids, and edges with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 63°. The Li(2)-O(1) bond length is 1.86 Å. The Li(2)-O(3) bond length is 1.99 Å. Both Li(2)-O(2) bond lengths are 1.96 Å. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(11), one O(12), two equivalent O(10), and two equivalent O(13) atoms. The Li(3)-O(11) bond length is 1.93 Å. The Li(3)-O(12) bond length is 2.56 Å. Both Li(3)-O(10) bond lengths are 2.03 Å. Both Li(3)-O(13) bond lengths are 2.27 Å. In the fourth Li site, Li(4) is bonded to one O(13), one O(14), two equivalent O(12), and two equivalent O(15) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with three equivalent Mn(4)O6 octahedra, and edges with three equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. The Li(4)-O(13) bond length is 2.09 Å. The Li(4)-O(14) bond length is 2.32 Å. Both Li(4)-O(12) bond lengths are 2.07 Å. Both Li(4)-O(15) bond lengths are 2.13 Å. In the fifth Li site, Li(5) is bonded to one O(15), one O(16), two equivalent O(14), and two equivalent O(17) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra, corners with two equivalent Mn(7)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with three equivalent Mn(6)O6 octahedra, and edges with three equivalent Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. The Li(5)-O(15) bond length is 2.14 Å. The Li(5)-O(16) bond length is 2.18 Å. Both Li(5)-O(14) bond lengths are 2.10 Å. Both Li(5)-O(17) bond lengths are 2.12 Å. In the sixth Li site, Li(6) is bonded to one O(17), one O(18), two equivalent O(16), and two equivalent O(19) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(10)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra, corners with two equivalent Mn(7)O6 octahedra, corners with two equivalent Mn(8)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with three equivalent Mn(7)O6 octahedra, and edges with three equivalent Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. The Li(6)-O(17) bond length is 2.15 Å. The Li(6)-O(18) bond length is 2.10 Å. Both Li(6)-O(16) bond lengths are 2.13 Å. Both Li(6)-O(19) bond lengths are 2.11 Å. In the seventh Li site, Li(7) is bonded to one O(19), one O(20), two equivalent O(18), and two equivalent O(21) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Mn(9)O6 octahedra, corners with two equivalent Mn(10)O6 octahedra, corners with two equivalent Mn(8)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with three equivalent Mn(10)O6 octahedra, and edges with three equivalent Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. The Li(7)-O(19) bond length is 2.17 Å. The Li(7)-O(20) bond length is 2.08 Å. Both Li(7)-O(18) bond lengths are 2.12 Å. Both Li(7)-O(21) bond lengths are 2.09 Å. In the eighth Li site, Li(8) is bonded to one O(21), one O(22), two equivalent O(20), and two equivalent O(23) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(11)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra, corners with two equivalent Mn(10)O6 octahedra, corners with two equivalent Mn(9)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, edges with three equivalent Mn(10)O6 octahedra, and edges with three equivalent Mn(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. The Li(8)-O(21) bond length is 2.18 Å. The Li(8)-O(22) bond length is 2.03 Å. Both Li(8)-O(20) bond lengths are 2.15 Å. Both Li(8)-O(23) bond lengths are 2.10 Å. In the ninth Li site, Li(9) is bonded to one O(23), one O(24), two equivalent O(22), and two equivalent O(25) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Mn(10)O6 octahedra, corners with two equivalent Mn(11)O6 octahedra, corners with two equivalent Mn(9)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, edges with three equivalent Mn(11)O6 octahedra, and edges with three equivalent Mn(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-20°. The Li(9)-O(23) bond length is 2.34 Å. The Li(9)-O(24) bond length is 1.97 Å. Both Li(9)-O(22) bond lengths are 2.22 Å. Both Li(9)-O(25) bond lengths are 2.08 Å. In the tenth Li site, Li(10) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(24), and two equivalent O(26) atoms. The Li(10)-O(1) bond length is 1.89 Å. Both Li(10)-O(24) bond lengths are 2.50 Å. Both Li(10)-O(26) bond lengths are 2.00 Å. In the eleventh Li site, Li(11) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(26) atoms. The Li(11)-O(3) bond length is 1.95 Å. Both Li(11)-O(1) bond lengths are 2.07 Å. Both Li(11)-O(26) bond lengths are 2.24 Å. There are eleven inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form distorted MnO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 trigonal pyramids, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The Mn(1)-O(2) bond length is 1.71 Å. The Mn(1)-O(7) bond length is 2.13 Å. Both Mn(1)-O(4) bond lengths are 1.97 Å. Both Mn(1)-O(5) bond lengths are 1.84 Å. In the second Mn site, Mn(2) is bonded to one O(4), one O(9), two equivalent O(6), and two equivalent O(7) atoms to form edge-sharing MnO6 octahedra. The Mn(2)-O(4) bond length is 1.84 Å. The Mn(2)-O(9) bond length is 2.04 Å. Both Mn(2)-O(6) bond lengths are 1.97 Å. Both Mn(2)-O(7) bond lengths are 1.86 Å. In the third Mn site, Mn(3) is bonded to one O(11), one O(6), two equivalent O(8), and two equivalent O(9) atoms to form edge-sharing MnO6 octahedra. The Mn(3)-O(11) bond length is 2.03 Å. The Mn(3)-O(6) bond length is 1.85 Å. Both Mn(3)-O(8) bond lengths are 1.96 Å. Both Mn(3)-O(9) bond lengths are 1.88 Å. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(15), two equivalent O(12), and two equivalent O(13) atoms to form MnO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, edges with two equivalent Mn(6)O6 octahedra, and edges with three equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. The Mn(4)-O(10) bond length is 1.94 Å. The Mn(4)-O(15) bond length is 1.98 Å. Both Mn(4)-O(12) bond lengths are 1.97 Å. Both Mn(4)-O(13) bond lengths are 1.96 Å. In the fifth Mn site, Mn(5) is bonded to one O(13), one O(8), two equivalent O(10), and two equivalent O(11) atoms to form MnO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. The Mn(5)-O(13) bond length is 2.03 Å. The Mn(5)-O(8) bond length is 1.85 Å. Both Mn(5)-O(10) bond lengths are 1.97 Å. Both Mn(5)-O(11) bond lengths are 1.91 Å. In the sixth Mn site, Mn(6) is bonded to one O(12), one O(17), two equivalent O(14), and two equivalent O(15) atoms to form MnO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with two equivalent Mn(6)O6 octahedra, edges with two equivalent Mn(7)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, and edges with three equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. The Mn(6)-O(12) bond length is 1.96 Å. The Mn(6)-O(17) bond length is 1.99 Å. Both Mn(6)-O(14) bond lengths are 1.98 Å. Both Mn(6)-O(15) bond lengths are 1.98 Å. In the seventh Mn site, Mn(7) is bonded to one O(14), one O(19), two equivalent O(16), and two equivalent O(17) atoms to form MnO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Li(6)O6 octahedra, edges with two equivalent Mn(6)O6 octahedra, edges with two equivalent Mn(7)O6 octahedra, edges with two equivalent Mn(8)O6 octahedra, edges with three equivalent Li(5)O6 octahedra, and edges with three equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-6°. The Mn(7)-O(14) bond length is 1.96 Å. The Mn(7)-O(19) bond length is 1.98 Å. Both Mn(7)-O(16) bond lengths are 1.97 Å. Both Mn(7)-O(17) bond lengths are 1.97 Å. In the eighth Mn site, Mn(8) is bonded to one O(16), one O(21), two equivalent O(18), and two equivalent O(19) atoms to form MnO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra, corners with two equivalent Li(6)O6 octahedra, corners with two equivalent Li(7)O6 octahedra, edges with two equivalent Mn(10)O6 octahedra, edges with two equivalent Mn(7)O6 octahedra, edges with two equivalent Mn(8)O6 octahedra, edges with three equivalent Li(6)O6 octahedra, and edges with three equivalent Li(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. The Mn(8)-O(16) bond length is 1.98 Å. The Mn(8)-O(21) bond length is 1.97 Å. Both Mn(8)-O(18) bond lengths are 1.97 Å. Both Mn(8)-O(19) bond lengths are 1.98 Å. In the ninth Mn site, Mn(9) is bonded to one O(20), one O(25), two equivalent O(22), and two equivalent O(23) atoms to form MnO6 octahedra that share  a cornercorner with one Li(7)O6 octahedra, corners with two equivalent Li(8)O6 octahedra, corners with two equivalent Li(9)O6 octahedra, edges with two equivalent Mn(10)O6 octahedra, edges with two equivalent Mn(11)O6 octahedra, edges with two equivalent Mn(9)O6 octahedra, edges with three equivalent Li(8)O6 octahedra, and edges with three equivalent Li(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. The Mn(9)-O(20) bond length is 1.99 Å. The Mn(9)-O(25) bond length is 1.88 Å. Both Mn(9)-O(22) bond lengths are 1.94 Å. Both Mn(9)-O(23) bond lengths are 1.97 Å. In the tenth Mn site, Mn(10) is bonded to one O(18), one O(23), two equivalent O(20), and two equivalent O(21) atoms to form MnO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra, corners with two equivalent Li(7)O6 octahedra, corners with two equivalent Li(8)O6 octahedra, edges with two equivalent Mn(10)O6 octahedra, edges with two equivalent Mn(8)O6 octahedra, edges with two equivalent Mn(9)O6 octahedra, edges with three equivalent Li(7)O6 octahedra, and edges with three equivalent Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. The Mn(10)-O(18) bond length is 1.97 Å. The Mn(10)-O(23) bond length is 1.96 Å. Both Mn(10)-O(20) bond lengths are 1.98 Å. Both Mn(10)-O(21) bond lengths are 1.97 Å. In the eleventh Mn site, Mn(11) is bonded to one O(22), one O(26), two equivalent O(24), and two equivalent O(25) atoms to form distorted MnO6 octahedra that share  a cornercorner with one Li(8)O6 octahedra, corners with two equivalent Li(9)O6 octahedra, edges with two equivalent Mn(11)O6 octahedra, edges with two equivalent Mn(9)O6 octahedra, and edges with three equivalent Li(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-20°. The Mn(11)-O(22) bond length is 2.22 Å. The Mn(11)-O(26) bond length is 1.72 Å. Both Mn(11)-O(24) bond lengths are 1.87 Å. Both Mn(11)-O(25) bond lengths are 2.04 Å. There are twenty-six inequivalent O sites. In the first O site, O(1) is bonded to one Li(10), one Li(2), and two equivalent Li(11) atoms to form distorted corner-sharing OLi4 tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Li(2), and one Mn(1) atom. In the third O site, O(3) is bonded to one Li(11), one Li(2), and two equivalent Li(1) atoms to form distorted corner-sharing OLi4 tetrahedra. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mn(3) and two equivalent Mn(2) atoms. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mn(1) and two equivalent Mn(2) atoms. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Mn(5) and two equivalent Mn(3) atoms. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Mn(2) and two equivalent Mn(3) atoms. In the tenth O site, O(10) is bonded to two equivalent Li(3), one Mn(4), and two equivalent Mn(5) atoms to form OLi2Mn3 square pyramids that share  a cornercorner with one O(15)Li3Mn3 octahedra, corners with two equivalent O(13)Li3Mn3 octahedra, edges with two equivalent O(12)Li3Mn3 octahedra, edges with three equivalent O(13)Li3Mn3 octahedra, and edges with two equivalent O(10)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 1-22°. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(3), one Mn(3), and two equivalent Mn(5) atoms. In the twelfth O site, O(12) is bonded to one Li(3), two equivalent Li(4), one Mn(6), and two equivalent Mn(4) atoms to form distorted OLi3Mn3 octahedra that share  a cornercorner with one O(17)Li3Mn3 octahedra, corners with two equivalent O(13)Li3Mn3 octahedra, corners with two equivalent O(15)Li3Mn3 octahedra, edges with two equivalent O(12)Li3Mn3 octahedra, edges with two equivalent O(14)Li3Mn3 octahedra, edges with three equivalent O(13)Li3Mn3 octahedra, edges with three equivalent O(15)Li3Mn3 octahedra, and edges with two equivalent O(10)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 1-9°. In the thirteenth O site, O(13) is bonded to one Li(4), two equivalent Li(3), one Mn(5), and two equivalent Mn(4) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(14)Li3Mn3 octahedra, corners with two equivalent O(12)Li3Mn3 octahedra, corners with two equivalent O(10)Li2Mn3 square pyramids, edges with two equivalent O(13)Li3Mn3 octahedra, edges with two equivalent O(15)Li3Mn3 octahedra, edges with three equivalent O(12)Li3Mn3 octahedra, and edges with three equivalent O(10)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 1-4°. In the fourteenth O site, O(14) is bonded to one Li(4), two equivalent Li(5), one Mn(7), and two equivalent Mn(6) atoms to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the fifteenth O site, O(15) is bonded to one Li(5), two equivalent Li(4), one Mn(4), and two equivalent Mn(6) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(16)Li3Mn3 octahedra, corners with two equivalent O(12)Li3Mn3 octahedra, corners with two equivalent O(14)Li3Mn3 octahedra,  a cornercorner with one O(10)Li2Mn3 square pyramid, edges with two equivalent O(13)Li3Mn3 octahedra, edges with two equivalent O(15)Li3Mn3 octahedra, edges with two equivalent O(17)Li3Mn3 octahedra, edges with three equivalent O(12)Li3Mn3 octahedra, and edges with three equivalent O(14)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the sixteenth O site, O(16) is bonded to one Li(5), two equivalent Li(6), one Mn(8), and two equivalent Mn(7) atoms to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the seventeenth O site, O(17) is bonded to one Li(6), two equivalent Li(5), one Mn(6), and two equivalent Mn(7) atoms to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the eighteenth O site, O(18) is bonded to one Li(6), two equivalent Li(7), one Mn(10), and two equivalent Mn(8) atoms to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the nineteenth O site, O(19) is bonded to one Li(7), two equivalent Li(6), one Mn(7), and two equivalent Mn(8) atoms to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles are 1°. In the twentieth O site, O(20) is bonded to one Li(7), two equivalent Li(8), one Mn(9), and two equivalent Mn(10) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(19)Li3Mn3 octahedra, corners with two equivalent O(21)Li3Mn3 octahedra, corners with two equivalent O(23)Li3Mn3 octahedra,  a cornercorner with one O(25)Li2Mn3 square pyramid, edges with two equivalent O(18)Li3Mn3 octahedra, edges with two equivalent O(20)Li3Mn3 octahedra, edges with two equivalent O(22)Li3Mn3 octahedra, edges with three equivalent O(21)Li3Mn3 octahedra, and edges with three equivalent O(23)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the twenty-first O site, O(21) is bonded to one Li(8), two equivalent Li(7), one Mn(8), and two equivalent Mn(10) atoms to form a mixture of corner and edge-sharing OLi3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the twenty-second O site, O(22) is bonded to one Li(8), two equivalent Li(9), one Mn(11), and two equivalent Mn(9) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(21)Li3Mn3 octahedra, corners with two equivalent O(23)Li3Mn3 octahedra, corners with two equivalent O(25)Li2Mn3 square pyramids, edges with two equivalent O(20)Li3Mn3 octahedra, edges with two equivalent O(22)Li3Mn3 octahedra, edges with three equivalent O(23)Li3Mn3 octahedra, and edges with three equivalent O(25)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 3-4°. In the twenty-third O site, O(23) is bonded to one Li(9), two equivalent Li(8), one Mn(10), and two equivalent Mn(9) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(18)Li3Mn3 octahedra, corners with two equivalent O(20)Li3Mn3 octahedra, corners with two equivalent O(22)Li3Mn3 octahedra, edges with two equivalent O(21)Li3Mn3 octahedra, edges with two equivalent O(23)Li3Mn3 octahedra, edges with three equivalent O(20)Li3Mn3 octahedra, edges with three equivalent O(22)Li3Mn3 octahedra, and edges with two equivalent O(25)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 1-5°. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(9), two equivalent Li(10), and two equivalent Mn(11) atoms. In the twenty-fifth O site, O(25) is bonded to two equivalent Li(9), one Mn(9), and two equivalent Mn(11) atoms to form OLi2Mn3 square pyramids that share  a cornercorner with one O(20)Li3Mn3 octahedra, corners with two equivalent O(22)Li3Mn3 octahedra, edges with two equivalent O(23)Li3Mn3 octahedra, edges with three equivalent O(22)Li3Mn3 octahedra, and edges with two equivalent O(25)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 1-15°. In the twenty-sixth O site, O(26) is bonded in a 5-coordinate geometry to two equivalent Li(10), two equivalent Li(11), and one Mn(11) atom.