Li7Mn5O12 crystallizes in the monoclinic C2/m space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  a cornercorner with one Li(4)O5 square pyramid,  a cornercorner with one Li(5)O5 square pyramid,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Li(6)O5 square pyramids, and edges with two equivalent Li(7)O5 square pyramids. The corner-sharing octahedral tilt angles are 9°. In the second Li site, Li(2) is bonded to one O(9), two equivalent O(5), and three equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with two equivalent Li(6)O5 square pyramids. The corner-sharing octahedral tilt angles range from 8-9°. In the third Li site, Li(3) is bonded to one O(10), two equivalent O(6), and three equivalent O(1) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with three equivalent Mn(2)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with two equivalent Li(7)O5 square pyramids. The corner-sharing octahedral tilt angles range from 8-9°. In the fourth Li site, Li(4) is bonded to one O(11), two equivalent O(3), and two equivalent O(7) atoms to form LiO5 square pyramids that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra, corners with two equivalent Li(6)O5 square pyramids,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Li(4)O5 square pyramids. The corner-sharing octahedral tilt angles range from 7-84°. In the fifth Li site, Li(5) is bonded to one O(12), two equivalent O(4), and two equivalent O(8) atoms to form LiO5 square pyramids that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, corners with two equivalent Li(7)O5 square pyramids,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Li(5)O5 square pyramids. The corner-sharing octahedral tilt angles range from 7-84°. In the sixth Li site, Li(6) is bonded to one O(5), two equivalent O(11), and two equivalent O(9) atoms to form distorted LiO5 square pyramids that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra, corners with two equivalent Li(4)O5 square pyramids,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Li(6)O5 square pyramids. The corner-sharing octahedral tilt angles range from 2-86°. In the seventh Li site, Li(7) is bonded to one O(6), two equivalent O(10), and two equivalent O(12) atoms to form distorted LiO5 square pyramids that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, corners with two equivalent Li(5)O5 square pyramids,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Li(7)O5 square pyramids. The corner-sharing octahedral tilt angles range from 2-86°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(4), one O(5), two equivalent O(12), and two equivalent O(2) atoms to form MnO6 octahedra that share corners with two equivalent Li(2)O6 octahedra,  a cornercorner with one Li(6)O5 square pyramid, corners with two equivalent Li(7)O5 square pyramids, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(7)O5 square pyramid, and edges with two equivalent Li(5)O5 square pyramids. The corner-sharing octahedral tilt angles are 8°. In the second Mn site, Mn(2) is bonded to one O(3), one O(6), two equivalent O(1), and two equivalent O(11) atoms to form MnO6 octahedra that share corners with two equivalent Li(3)O6 octahedra,  a cornercorner with one Li(7)O5 square pyramid, corners with two equivalent Li(6)O5 square pyramids, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(6)O5 square pyramid, and edges with two equivalent Li(4)O5 square pyramids. The corner-sharing octahedral tilt angles are 8°. In the third Mn site, Mn(3) is bonded to one O(1), one O(8), two equivalent O(10), and two equivalent O(3) atoms to form MnO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(4)O5 square pyramids, corners with two equivalent Li(5)O5 square pyramids, corners with two equivalent Li(7)O5 square pyramids, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra,  an edgeedge with one Li(4)O5 square pyramid, and  an edgeedge with one Li(7)O5 square pyramid. The corner-sharing octahedral tilt angles are 8°. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(7), two equivalent O(4), and two equivalent O(9) atoms to form MnO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(4)O5 square pyramids, corners with two equivalent Li(5)O5 square pyramids, corners with two equivalent Li(6)O5 square pyramids, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with two equivalent Mn(6)O6 octahedra,  an edgeedge with one Li(5)O5 square pyramid, and  an edgeedge with one Li(6)O5 square pyramid. The corner-sharing octahedral tilt angles are 8°. In the fifth Mn site, Mn(5) is bonded to two equivalent O(10) and four equivalent O(8) atoms to form MnO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(5)O5 square pyramids, corners with four equivalent Li(7)O5 square pyramids, edges with two equivalent Mn(5)O6 octahedra, edges with four equivalent Mn(3)O6 octahedra, and edges with two equivalent Li(5)O5 square pyramids. The corner-sharing octahedral tilt angles are 9°. In the sixth Mn site, Mn(6) is bonded to two equivalent O(9) and four equivalent O(7) atoms to form MnO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(4)O5 square pyramids, corners with four equivalent Li(6)O5 square pyramids, edges with two equivalent Mn(6)O6 octahedra, edges with four equivalent Mn(4)O6 octahedra, and edges with two equivalent Li(4)O5 square pyramids. The corner-sharing octahedral tilt angles are 9°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(3), one Mn(3), and two equivalent Mn(2) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(10)Li3Mn3 octahedra, corners with two equivalent O(11)Li4Mn2 octahedra, corners with two equivalent O(6)Li5Mn octahedra,  an edgeedge with one O(11)Li4Mn2 octahedra, edges with two equivalent O(10)Li3Mn3 octahedra, edges with three equivalent O(6)Li5Mn octahedra, edges with four equivalent O(1)Li3Mn3 octahedra, and edges with two equivalent O(3)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 2-7°. In the second O site, O(2) is bonded to three equivalent Li(2), one Mn(4), and two equivalent Mn(1) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(9)Li3Mn3 octahedra, corners with two equivalent O(12)Li4Mn2 octahedra, corners with two equivalent O(5)Li5Mn octahedra,  an edgeedge with one O(12)Li4Mn2 octahedra, edges with two equivalent O(9)Li3Mn3 octahedra, edges with three equivalent O(5)Li5Mn octahedra, edges with four equivalent O(2)Li3Mn3 octahedra, and edges with two equivalent O(4)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 2-7°. In the third O site, O(3) is bonded to two equivalent Li(4), one Mn(2), and two equivalent Mn(3) atoms to form OLi2Mn3 square pyramids that share  a cornercorner with one O(6)Li5Mn octahedra, corners with two equivalent O(10)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3Mn3 octahedra, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(11)Li4Mn2 octahedra, and edges with two equivalent O(3)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 4-5°. In the fourth O site, O(4) is bonded to two equivalent Li(5), one Mn(1), and two equivalent Mn(4) atoms to form OLi2Mn3 square pyramids that share  a cornercorner with one O(5)Li5Mn octahedra, corners with two equivalent O(9)Li3Mn3 octahedra,  an edgeedge with one O(9)Li3Mn3 octahedra, edges with two equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(12)Li4Mn2 octahedra, and edges with two equivalent O(4)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 4-5°. In the fifth O site, O(5) is bonded to one Li(6), two equivalent Li(1), two equivalent Li(2), and one Mn(1) atom to form OLi5Mn octahedra that share corners with two equivalent O(2)Li3Mn3 octahedra, corners with two equivalent O(6)Li5Mn octahedra,  a cornercorner with one O(4)Li2Mn3 square pyramid,  an edgeedge with one O(6)Li5Mn octahedra, edges with two equivalent O(9)Li3Mn3 octahedra, edges with two equivalent O(11)Li4Mn2 octahedra, edges with two equivalent O(12)Li4Mn2 octahedra, edges with two equivalent O(5)Li5Mn octahedra, and edges with three equivalent O(2)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the sixth O site, O(6) is bonded to one Li(7), two equivalent Li(1), two equivalent Li(3), and one Mn(2) atom to form OLi5Mn octahedra that share corners with two equivalent O(1)Li3Mn3 octahedra, corners with two equivalent O(5)Li5Mn octahedra,  a cornercorner with one O(3)Li2Mn3 square pyramid,  an edgeedge with one O(5)Li5Mn octahedra, edges with two equivalent O(10)Li3Mn3 octahedra, edges with two equivalent O(11)Li4Mn2 octahedra, edges with two equivalent O(12)Li4Mn2 octahedra, edges with two equivalent O(6)Li5Mn octahedra, and edges with three equivalent O(1)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to two equivalent Li(4), one Mn(4), and two equivalent Mn(6) atoms. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to two equivalent Li(5), one Mn(3), and two equivalent Mn(5) atoms. In the ninth O site, O(9) is bonded to one Li(2), two equivalent Li(6), one Mn(6), and two equivalent Mn(4) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(2)Li3Mn3 octahedra,  a cornercorner with one O(9)Li3Mn3 octahedra, corners with two equivalent O(11)Li4Mn2 octahedra, corners with two equivalent O(4)Li2Mn3 square pyramids,  an edgeedge with one O(11)Li4Mn2 octahedra, edges with two equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(9)Li3Mn3 octahedra, edges with two equivalent O(5)Li5Mn octahedra, and  an edgeedge with one O(4)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 0-15°. In the tenth O site, O(10) is bonded to one Li(3), two equivalent Li(7), one Mn(5), and two equivalent Mn(3) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(1)Li3Mn3 octahedra,  a cornercorner with one O(10)Li3Mn3 octahedra, corners with two equivalent O(12)Li4Mn2 octahedra, corners with two equivalent O(3)Li2Mn3 square pyramids,  an edgeedge with one O(12)Li4Mn2 octahedra, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(10)Li3Mn3 octahedra, edges with two equivalent O(6)Li5Mn octahedra, and  an edgeedge with one O(3)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 0-15°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), two equivalent Li(6), and two equivalent Mn(2) atoms to form OLi4Mn2 octahedra that share  a cornercorner with one O(12)Li4Mn2 octahedra, corners with two equivalent O(1)Li3Mn3 octahedra, corners with two equivalent O(9)Li3Mn3 octahedra,  an edgeedge with one O(1)Li3Mn3 octahedra,  an edgeedge with one O(9)Li3Mn3 octahedra, edges with two equivalent O(11)Li4Mn2 octahedra, edges with two equivalent O(5)Li5Mn octahedra, edges with two equivalent O(6)Li5Mn octahedra, and edges with two equivalent O(3)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 0-15°. In the twelfth O site, O(12) is bonded to one Li(1), one Li(5), two equivalent Li(7), and two equivalent Mn(1) atoms to form OLi4Mn2 octahedra that share  a cornercorner with one O(11)Li4Mn2 octahedra, corners with two equivalent O(10)Li3Mn3 octahedra, corners with two equivalent O(2)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3Mn3 octahedra,  an edgeedge with one O(2)Li3Mn3 octahedra, edges with two equivalent O(12)Li4Mn2 octahedra, edges with two equivalent O(5)Li5Mn octahedra, edges with two equivalent O(6)Li5Mn octahedra, and edges with two equivalent O(4)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 0-15°.
Li7Mn5O12 crystallizes in the monoclinic C2/m space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), two equivalent O(5), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  a cornercorner with one Li(4)O5 square pyramid,  a cornercorner with one Li(5)O5 square pyramid,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Li(6)O5 square pyramids, and edges with two equivalent Li(7)O5 square pyramids. The corner-sharing octahedral tilt angles are 9°. The Li(1)-O(11) bond length is 2.14 Å. The Li(1)-O(12) bond length is 2.14 Å. Both Li(1)-O(5) bond lengths are 2.06 Å. Both Li(1)-O(6) bond lengths are 2.06 Å. In the second Li site, Li(2) is bonded to one O(9), two equivalent O(5), and three equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with two equivalent Li(6)O5 square pyramids. The corner-sharing octahedral tilt angles range from 8-9°. The Li(2)-O(9) bond length is 2.22 Å. Both Li(2)-O(5) bond lengths are 1.99 Å. There is one shorter (2.05 Å) and two longer (2.23 Å) Li(2)-O(2) bond lengths. In the third Li site, Li(3) is bonded to one O(10), two equivalent O(6), and three equivalent O(1) atoms to form LiO6 octahedra that share  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with three equivalent Mn(2)O6 octahedra, edges with four equivalent Li(3)O6 octahedra, and edges with two equivalent Li(7)O5 square pyramids. The corner-sharing octahedral tilt angles range from 8-9°. The Li(3)-O(10) bond length is 2.21 Å. Both Li(3)-O(6) bond lengths are 1.99 Å. There is one shorter (2.05 Å) and two longer (2.23 Å) Li(3)-O(1) bond lengths. In the fourth Li site, Li(4) is bonded to one O(11), two equivalent O(3), and two equivalent O(7) atoms to form LiO5 square pyramids that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra, corners with two equivalent Li(6)O5 square pyramids,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Li(4)O5 square pyramids. The corner-sharing octahedral tilt angles range from 7-84°. The Li(4)-O(11) bond length is 2.05 Å. Both Li(4)-O(3) bond lengths are 2.14 Å. Both Li(4)-O(7) bond lengths are 2.10 Å. In the fifth Li site, Li(5) is bonded to one O(12), two equivalent O(4), and two equivalent O(8) atoms to form LiO5 square pyramids that share  a cornercorner with one Li(1)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, corners with two equivalent Li(7)O5 square pyramids,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Li(5)O5 square pyramids. The corner-sharing octahedral tilt angles range from 7-84°. The Li(5)-O(12) bond length is 2.05 Å. Both Li(5)-O(4) bond lengths are 2.13 Å. Both Li(5)-O(8) bond lengths are 2.10 Å. In the sixth Li site, Li(6) is bonded to one O(5), two equivalent O(11), and two equivalent O(9) atoms to form distorted LiO5 square pyramids that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Mn(6)O6 octahedra, corners with two equivalent Li(4)O5 square pyramids,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Li(6)O5 square pyramids. The corner-sharing octahedral tilt angles range from 2-86°. The Li(6)-O(5) bond length is 2.05 Å. Both Li(6)-O(11) bond lengths are 2.15 Å. Both Li(6)-O(9) bond lengths are 2.15 Å. In the seventh Li site, Li(7) is bonded to one O(6), two equivalent O(10), and two equivalent O(12) atoms to form distorted LiO5 square pyramids that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, corners with two equivalent Li(5)O5 square pyramids,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Li(7)O5 square pyramids. The corner-sharing octahedral tilt angles range from 2-86°. The Li(7)-O(6) bond length is 2.05 Å. Both Li(7)-O(10) bond lengths are 2.15 Å. Both Li(7)-O(12) bond lengths are 2.15 Å. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(4), one O(5), two equivalent O(12), and two equivalent O(2) atoms to form MnO6 octahedra that share corners with two equivalent Li(2)O6 octahedra,  a cornercorner with one Li(6)O5 square pyramid, corners with two equivalent Li(7)O5 square pyramids, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(7)O5 square pyramid, and edges with two equivalent Li(5)O5 square pyramids. The corner-sharing octahedral tilt angles are 8°. The Mn(1)-O(4) bond length is 2.14 Å. The Mn(1)-O(5) bond length is 1.83 Å. Both Mn(1)-O(12) bond lengths are 1.95 Å. Both Mn(1)-O(2) bond lengths are 1.95 Å. In the second Mn site, Mn(2) is bonded to one O(3), one O(6), two equivalent O(1), and two equivalent O(11) atoms to form MnO6 octahedra that share corners with two equivalent Li(3)O6 octahedra,  a cornercorner with one Li(7)O5 square pyramid, corners with two equivalent Li(6)O5 square pyramids, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(6)O5 square pyramid, and edges with two equivalent Li(4)O5 square pyramids. The corner-sharing octahedral tilt angles are 8°. The Mn(2)-O(3) bond length is 2.14 Å. The Mn(2)-O(6) bond length is 1.83 Å. Both Mn(2)-O(1) bond lengths are 1.95 Å. Both Mn(2)-O(11) bond lengths are 1.95 Å. In the third Mn site, Mn(3) is bonded to one O(1), one O(8), two equivalent O(10), and two equivalent O(3) atoms to form MnO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(4)O5 square pyramids, corners with two equivalent Li(5)O5 square pyramids, corners with two equivalent Li(7)O5 square pyramids, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra,  an edgeedge with one Li(4)O5 square pyramid, and  an edgeedge with one Li(7)O5 square pyramid. The corner-sharing octahedral tilt angles are 8°. The Mn(3)-O(1) bond length is 2.21 Å. The Mn(3)-O(8) bond length is 2.30 Å. Both Mn(3)-O(10) bond lengths are 1.97 Å. Both Mn(3)-O(3) bond lengths are 1.98 Å. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(7), two equivalent O(4), and two equivalent O(9) atoms to form MnO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(4)O5 square pyramids, corners with two equivalent Li(5)O5 square pyramids, corners with two equivalent Li(6)O5 square pyramids, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with two equivalent Mn(6)O6 octahedra,  an edgeedge with one Li(5)O5 square pyramid, and  an edgeedge with one Li(6)O5 square pyramid. The corner-sharing octahedral tilt angles are 8°. The Mn(4)-O(2) bond length is 2.20 Å. The Mn(4)-O(7) bond length is 2.30 Å. Both Mn(4)-O(4) bond lengths are 1.98 Å. Both Mn(4)-O(9) bond lengths are 1.97 Å. In the fifth Mn site, Mn(5) is bonded to two equivalent O(10) and four equivalent O(8) atoms to form MnO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(5)O5 square pyramids, corners with four equivalent Li(7)O5 square pyramids, edges with two equivalent Mn(5)O6 octahedra, edges with four equivalent Mn(3)O6 octahedra, and edges with two equivalent Li(5)O5 square pyramids. The corner-sharing octahedral tilt angles are 9°. Both Mn(5)-O(10) bond lengths are 2.33 Å. All Mn(5)-O(8) bond lengths are 1.97 Å. In the sixth Mn site, Mn(6) is bonded to two equivalent O(9) and four equivalent O(7) atoms to form MnO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(4)O5 square pyramids, corners with four equivalent Li(6)O5 square pyramids, edges with two equivalent Mn(6)O6 octahedra, edges with four equivalent Mn(4)O6 octahedra, and edges with two equivalent Li(4)O5 square pyramids. The corner-sharing octahedral tilt angles are 9°. Both Mn(6)-O(9) bond lengths are 2.33 Å. All Mn(6)-O(7) bond lengths are 1.97 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(3), one Mn(3), and two equivalent Mn(2) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(10)Li3Mn3 octahedra, corners with two equivalent O(11)Li4Mn2 octahedra, corners with two equivalent O(6)Li5Mn octahedra,  an edgeedge with one O(11)Li4Mn2 octahedra, edges with two equivalent O(10)Li3Mn3 octahedra, edges with three equivalent O(6)Li5Mn octahedra, edges with four equivalent O(1)Li3Mn3 octahedra, and edges with two equivalent O(3)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 2-7°. In the second O site, O(2) is bonded to three equivalent Li(2), one Mn(4), and two equivalent Mn(1) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(9)Li3Mn3 octahedra, corners with two equivalent O(12)Li4Mn2 octahedra, corners with two equivalent O(5)Li5Mn octahedra,  an edgeedge with one O(12)Li4Mn2 octahedra, edges with two equivalent O(9)Li3Mn3 octahedra, edges with three equivalent O(5)Li5Mn octahedra, edges with four equivalent O(2)Li3Mn3 octahedra, and edges with two equivalent O(4)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 2-7°. In the third O site, O(3) is bonded to two equivalent Li(4), one Mn(2), and two equivalent Mn(3) atoms to form OLi2Mn3 square pyramids that share  a cornercorner with one O(6)Li5Mn octahedra, corners with two equivalent O(10)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3Mn3 octahedra, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(11)Li4Mn2 octahedra, and edges with two equivalent O(3)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 4-5°. In the fourth O site, O(4) is bonded to two equivalent Li(5), one Mn(1), and two equivalent Mn(4) atoms to form OLi2Mn3 square pyramids that share  a cornercorner with one O(5)Li5Mn octahedra, corners with two equivalent O(9)Li3Mn3 octahedra,  an edgeedge with one O(9)Li3Mn3 octahedra, edges with two equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(12)Li4Mn2 octahedra, and edges with two equivalent O(4)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 4-5°. In the fifth O site, O(5) is bonded to one Li(6), two equivalent Li(1), two equivalent Li(2), and one Mn(1) atom to form OLi5Mn octahedra that share corners with two equivalent O(2)Li3Mn3 octahedra, corners with two equivalent O(6)Li5Mn octahedra,  a cornercorner with one O(4)Li2Mn3 square pyramid,  an edgeedge with one O(6)Li5Mn octahedra, edges with two equivalent O(9)Li3Mn3 octahedra, edges with two equivalent O(11)Li4Mn2 octahedra, edges with two equivalent O(12)Li4Mn2 octahedra, edges with two equivalent O(5)Li5Mn octahedra, and edges with three equivalent O(2)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the sixth O site, O(6) is bonded to one Li(7), two equivalent Li(1), two equivalent Li(3), and one Mn(2) atom to form OLi5Mn octahedra that share corners with two equivalent O(1)Li3Mn3 octahedra, corners with two equivalent O(5)Li5Mn octahedra,  a cornercorner with one O(3)Li2Mn3 square pyramid,  an edgeedge with one O(5)Li5Mn octahedra, edges with two equivalent O(10)Li3Mn3 octahedra, edges with two equivalent O(11)Li4Mn2 octahedra, edges with two equivalent O(12)Li4Mn2 octahedra, edges with two equivalent O(6)Li5Mn octahedra, and edges with three equivalent O(1)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to two equivalent Li(4), one Mn(4), and two equivalent Mn(6) atoms. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to two equivalent Li(5), one Mn(3), and two equivalent Mn(5) atoms. In the ninth O site, O(9) is bonded to one Li(2), two equivalent Li(6), one Mn(6), and two equivalent Mn(4) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(2)Li3Mn3 octahedra,  a cornercorner with one O(9)Li3Mn3 octahedra, corners with two equivalent O(11)Li4Mn2 octahedra, corners with two equivalent O(4)Li2Mn3 square pyramids,  an edgeedge with one O(11)Li4Mn2 octahedra, edges with two equivalent O(2)Li3Mn3 octahedra, edges with two equivalent O(9)Li3Mn3 octahedra, edges with two equivalent O(5)Li5Mn octahedra, and  an edgeedge with one O(4)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 0-15°. In the tenth O site, O(10) is bonded to one Li(3), two equivalent Li(7), one Mn(5), and two equivalent Mn(3) atoms to form OLi3Mn3 octahedra that share  a cornercorner with one O(1)Li3Mn3 octahedra,  a cornercorner with one O(10)Li3Mn3 octahedra, corners with two equivalent O(12)Li4Mn2 octahedra, corners with two equivalent O(3)Li2Mn3 square pyramids,  an edgeedge with one O(12)Li4Mn2 octahedra, edges with two equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(10)Li3Mn3 octahedra, edges with two equivalent O(6)Li5Mn octahedra, and  an edgeedge with one O(3)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 0-15°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(4), two equivalent Li(6), and two equivalent Mn(2) atoms to form OLi4Mn2 octahedra that share  a cornercorner with one O(12)Li4Mn2 octahedra, corners with two equivalent O(1)Li3Mn3 octahedra, corners with two equivalent O(9)Li3Mn3 octahedra,  an edgeedge with one O(1)Li3Mn3 octahedra,  an edgeedge with one O(9)Li3Mn3 octahedra, edges with two equivalent O(11)Li4Mn2 octahedra, edges with two equivalent O(5)Li5Mn octahedra, edges with two equivalent O(6)Li5Mn octahedra, and edges with two equivalent O(3)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 0-15°. In the twelfth O site, O(12) is bonded to one Li(1), one Li(5), two equivalent Li(7), and two equivalent Mn(1) atoms to form OLi4Mn2 octahedra that share  a cornercorner with one O(11)Li4Mn2 octahedra, corners with two equivalent O(10)Li3Mn3 octahedra, corners with two equivalent O(2)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3Mn3 octahedra,  an edgeedge with one O(2)Li3Mn3 octahedra, edges with two equivalent O(12)Li4Mn2 octahedra, edges with two equivalent O(5)Li5Mn octahedra, edges with two equivalent O(6)Li5Mn octahedra, and edges with two equivalent O(4)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 0-15°.