The material described by Li7Mn5O12 crystallizes in the triclinic P1 space group. There are fourteen inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(17), one O(19), one O(21), one O(23), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Mn(7)O6 octahedra, corners with three equivalent Mn(8)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(11)O5 square pyramid, and  an edgeedge with one Li(13)O5 square pyramid. The corner-sharing octahedral tilt angles range from 5-6°. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(18), one O(20), one O(22), and one O(24) atom to form LiO6 octahedra that share corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(14)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(9)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the third Li site, Li(3) is bonded to one O(1), one O(17), one O(19), one O(21), one O(23), and one O(3) atom to form LiO6 octahedra that share corners with three equivalent Mn(4)O6 octahedra, corners with three equivalent Mn(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(11)O5 square pyramid, and  an edgeedge with one Li(13)O5 square pyramid. The corner-sharing octahedral tilt angles range from 1-13°. In the fourth Li site, Li(4) is bonded to one O(18), one O(2), one O(20), one O(22), one O(24), and one O(4) atom to form LiO6 octahedra that share corners with three equivalent Mn(10)O6 octahedra, corners with three equivalent Mn(9)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(14)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-13°. In the fifth Li site, Li(5) is bonded to one O(1), one O(11), one O(21), one O(23), one O(3), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Li(7)O6 octahedra, corners with three equivalent Li(9)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(11)O5 square pyramid, and  an edgeedge with one Li(13)O5 square pyramid. The corner-sharing octahedral tilt angles range from 7-12°. In the sixth Li site, Li(6) is bonded to one O(10), one O(12), one O(2), one O(22), one O(24), and one O(4) atom to form LiO6 octahedra that share corners with three equivalent Li(10)O6 octahedra, corners with three equivalent Li(8)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(14)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(9)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-15°. In the seventh Li site, Li(7) is bonded to one O(1), one O(13), one O(15), one O(23), one O(7), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Mn(9)O6 octahedra,  a cornercorner with one Li(11)O5 square pyramid,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(14)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, edges with two equivalent Mn(8)O6 octahedra, and  an edgeedge with one Li(11)O5 square pyramid. The corner-sharing octahedral tilt angles range from 6-18°. In the eighth Li site, Li(8) is bonded to one O(10), one O(14), one O(16), one O(2), one O(24), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Li(6)O6 octahedra, corners with three equivalent Mn(4)O6 octahedra,  a cornercorner with one Li(13)O5 square pyramid,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, edges with two equivalent Li(12)O6 octahedra, edges with two equivalent Mn(10)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-17°. In the ninth Li site, Li(9) is bonded to one O(11), one O(14), one O(16), one O(21), one O(3), and one O(6) atom to form LiO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Mn(10)O6 octahedra,  a cornercorner with one Li(13)O5 square pyramid,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with two equivalent Mn(7)O6 octahedra, and  an edgeedge with one Li(13)O5 square pyramid. The corner-sharing octahedral tilt angles range from 5-18°. In the tenth Li site, Li(10) is bonded to one O(12), one O(13), one O(15), one O(22), one O(4), and one O(5) atom to form LiO6 octahedra that share corners with three equivalent Li(6)O6 octahedra, corners with three equivalent Mn(5)O6 octahedra,  a cornercorner with one Li(11)O5 square pyramid,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Li(14)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-17°. In the eleventh Li site, Li(11) is bonded to one O(1), one O(19), one O(5), one O(7), and one O(9) atom to form LiO5 square pyramids that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(9)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(14)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and edges with two equivalent Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-87°. In the twelfth Li site, Li(12) is bonded to one O(10), one O(16), one O(2), one O(20), one O(6), and one O(8) atom to form distorted LiO6 octahedra that share corners with three equivalent Mn(6)O6 octahedra, corners with three equivalent Mn(7)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Mn(10)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and  an edgeedge with one Li(13)O5 square pyramid. The corner-sharing octahedral tilt angles range from 5-11°. In the thirteenth Li site, Li(13) is bonded to one O(11), one O(17), one O(3), one O(6), and one O(8) atom to form LiO5 square pyramids that share  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Mn(10)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, and edges with two equivalent Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-87°. In the fourteenth Li site, Li(14) is bonded to one O(12), one O(13), one O(18), one O(4), one O(5), and one O(7) atom to form distorted LiO6 octahedra that share corners with three equivalent Mn(6)O6 octahedra, corners with three equivalent Mn(8)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with two equivalent Li(10)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(9)O6 octahedra, and  an edgeedge with one Li(11)O5 square pyramid. The corner-sharing octahedral tilt angles range from 5-11°. There are ten inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(11), one O(17), one O(19), one O(3), and one O(9) atom to form MnO6 octahedra that share corners with three equivalent Li(11)O5 square pyramids, corners with three equivalent Li(13)O5 square pyramids,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Li(5)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(12), one O(15), one O(18), one O(22), one O(5), and one O(7) atom to form MnO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with two equivalent Li(11)O5 square pyramids,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Li(10)O6 octahedra, edges with two equivalent Li(14)O6 octahedra, and edges with two equivalent Mn(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the third Mn site, Mn(3) is bonded to one O(10), one O(14), one O(20), one O(24), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with two equivalent Li(13)O5 square pyramids,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, edges with two equivalent Li(12)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Mn(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the fourth Mn site, Mn(4) is bonded to one O(14), one O(16), one O(17), one O(21), one O(3), and one O(8) atom to form distorted MnO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(8)O6 octahedra,  a cornercorner with one Li(13)O5 square pyramid,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, edges with two equivalent Mn(7)O6 octahedra, and  an edgeedge with one Li(13)O5 square pyramid. The corner-sharing octahedral tilt angles range from 1-17°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(13), one O(15), one O(19), one O(23), and one O(5) atom to form distorted MnO6 octahedra that share corners with three equivalent Li(10)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  a cornercorner with one Li(11)O5 square pyramid,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(14)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(9)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Mn(8)O6 octahedra, and  an edgeedge with one Li(11)O5 square pyramid. The corner-sharing octahedral tilt angles range from 1-17°. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(12), one O(18), one O(2), one O(20), and one O(4) atom to form MnO6 octahedra that share corners with three equivalent Li(12)O6 octahedra, corners with three equivalent Li(14)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(9)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the seventh Mn site, Mn(7) is bonded to one O(11), one O(16), one O(17), one O(21), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(12)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Li(13)O5 square pyramids. The corner-sharing octahedral tilt angles range from 5-11°. In the eighth Mn site, Mn(8) is bonded to one O(13), one O(19), one O(23), one O(5), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(14)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(9)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, and edges with two equivalent Li(11)O5 square pyramids. The corner-sharing octahedral tilt angles range from 5-11°. In the ninth Mn site, Mn(9) is bonded to one O(13), one O(15), one O(18), one O(22), one O(4), and one O(7) atom to form MnO6 octahedra that share corners with three equivalent Li(4)O6 octahedra, corners with three equivalent Li(7)O6 octahedra,  a cornercorner with one Li(11)O5 square pyramid,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Li(10)O6 octahedra, edges with two equivalent Li(14)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-18°. In the tenth Mn site, Mn(10) is bonded to one O(14), one O(16), one O(2), one O(20), one O(24), and one O(6) atom to form MnO6 octahedra that share corners with three equivalent Li(4)O6 octahedra, corners with three equivalent Li(9)O6 octahedra,  a cornercorner with one Li(13)O5 square pyramid,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, edges with two equivalent Li(12)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-18°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(11), one Li(3), one Li(5), one Li(7), one Mn(1), and one Mn(5) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(3)Li4Mn2 octahedra, corners with two equivalent O(15)Li2Mn3 square pyramids,  an edgeedge with one O(13)Li3Mn3 octahedra,  an edgeedge with one O(17)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(11)Li4Mn2 octahedra,  an edgeedge with one O(21)Li4Mn2 octahedra, edges with two equivalent O(19)Li3Mn3 octahedra, edges with two equivalent O(23)Li4Mn2 octahedra, and edges with two equivalent O(9)Li4Mn2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(12), one Li(4), one Li(6), one Li(8), one Mn(10), and one Mn(6) atom to form distorted OLi4Mn2 octahedra that share corners with three equivalent O(16)Li3Mn3 octahedra, corners with three equivalent O(4)Li4Mn2 octahedra,  an edgeedge with one O(18)Li3Mn3 octahedra,  an edgeedge with one O(6)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(12)Li4Mn2 octahedra,  an edgeedge with one O(22)Li4Mn2 octahedra, edges with two equivalent O(20)Li3Mn3 octahedra, edges with two equivalent O(10)Li4Mn2 octahedra, edges with two equivalent O(24)Li4Mn2 octahedra, and  an edgeedge with one O(14)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 0-7°. In the third O site, O(3) is bonded to one Li(13), one Li(3), one Li(5), one Li(9), one Mn(1), and one Mn(4) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(1)Li4Mn2 octahedra, corners with two equivalent O(14)Li2Mn3 square pyramids,  an edgeedge with one O(16)Li3Mn3 octahedra,  an edgeedge with one O(19)Li3Mn3 octahedra,  an edgeedge with one O(6)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(23)Li4Mn2 octahedra,  an edgeedge with one O(9)Li4Mn2 octahedra, edges with two equivalent O(17)Li3Mn3 octahedra, edges with two equivalent O(11)Li4Mn2 octahedra, and edges with two equivalent O(21)Li4Mn2 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to one Li(10), one Li(14), one Li(4), one Li(6), one Mn(6), and one Mn(9) atom to form distorted OLi4Mn2 octahedra that share corners with three equivalent O(13)Li3Mn3 octahedra, corners with three equivalent O(2)Li4Mn2 octahedra,  an edgeedge with one O(20)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(10)Li4Mn2 octahedra,  an edgeedge with one O(24)Li4Mn2 octahedra, edges with two equivalent O(18)Li3Mn3 octahedra, edges with two equivalent O(12)Li4Mn2 octahedra, edges with two equivalent O(22)Li4Mn2 octahedra, and  an edgeedge with one O(15)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 0-7°. In the fifth O site, O(5) is bonded to one Li(10), one Li(11), one Li(14), one Mn(2), one Mn(5), and one Mn(8) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(19)Li3Mn3 octahedra, corners with three equivalent O(12)Li4Mn2 octahedra,  a cornercorner with one O(15)Li2Mn3 square pyramid,  an edgeedge with one O(18)Li3Mn3 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(22)Li4Mn2 octahedra,  an edgeedge with one O(23)Li4Mn2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra,  an edgeedge with one O(9)Li4Mn2 octahedra, edges with two equivalent O(13)Li3Mn3 octahedra, edges with two equivalent O(7)Li3Mn3 octahedra, and  an edgeedge with one O(15)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 2-15°. In the sixth O site, O(6) is bonded to one Li(12), one Li(13), one Li(9), one Mn(10), one Mn(3), and one Mn(7) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(20)Li3Mn3 octahedra, corners with three equivalent O(11)Li4Mn2 octahedra,  a cornercorner with one O(14)Li2Mn3 square pyramid,  an edgeedge with one O(17)Li3Mn3 octahedra,  an edgeedge with one O(10)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra,  an edgeedge with one O(21)Li4Mn2 octahedra,  an edgeedge with one O(24)Li4Mn2 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra, edges with two equivalent O(16)Li3Mn3 octahedra, edges with two equivalent O(8)Li3Mn3 octahedra, and  an edgeedge with one O(14)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 0-16°. In the seventh O site, O(7) is bonded to one Li(11), one Li(14), one Li(7), one Mn(2), one Mn(8), and one Mn(9) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(18)Li3Mn3 octahedra, corners with three equivalent O(9)Li4Mn2 octahedra,  a cornercorner with one O(15)Li2Mn3 square pyramid,  an edgeedge with one O(19)Li3Mn3 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(12)Li4Mn2 octahedra,  an edgeedge with one O(22)Li4Mn2 octahedra,  an edgeedge with one O(23)Li4Mn2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra, edges with two equivalent O(13)Li3Mn3 octahedra, edges with two equivalent O(5)Li3Mn3 octahedra, and  an edgeedge with one O(15)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 1-16°. In the eighth O site, O(8) is bonded to one Li(12), one Li(13), one Li(8), one Mn(3), one Mn(4), and one Mn(7) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(17)Li3Mn3 octahedra, corners with three equivalent O(10)Li4Mn2 octahedra,  a cornercorner with one O(14)Li2Mn3 square pyramid,  an edgeedge with one O(20)Li3Mn3 octahedra,  an edgeedge with one O(11)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra,  an edgeedge with one O(21)Li4Mn2 octahedra,  an edgeedge with one O(24)Li4Mn2 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra, edges with two equivalent O(16)Li3Mn3 octahedra, edges with two equivalent O(6)Li3Mn3 octahedra, and  an edgeedge with one O(14)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 2-15°. In the ninth O site, O(9) is bonded to one Li(1), one Li(11), one Li(5), one Li(7), one Mn(1), and one Mn(8) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(7)Li3Mn3 octahedra, corners with three equivalent O(11)Li4Mn2 octahedra,  a cornercorner with one O(15)Li2Mn3 square pyramid,  an edgeedge with one O(13)Li3Mn3 octahedra,  an edgeedge with one O(17)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(21)Li4Mn2 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra, edges with two equivalent O(19)Li3Mn3 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, and edges with two equivalent O(23)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-16°. In the tenth O site, O(10) is bonded to one Li(12), one Li(2), one Li(6), one Li(8), one Mn(3), and one Mn(6) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(8)Li3Mn3 octahedra, corners with three equivalent O(12)Li4Mn2 octahedra,  an edgeedge with one O(16)Li3Mn3 octahedra,  an edgeedge with one O(18)Li3Mn3 octahedra,  an edgeedge with one O(6)Li3Mn3 octahedra,  an edgeedge with one O(22)Li4Mn2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra, edges with two equivalent O(20)Li3Mn3 octahedra, edges with two equivalent O(2)Li4Mn2 octahedra, edges with two equivalent O(24)Li4Mn2 octahedra, and  an edgeedge with one O(14)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 0-6°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(13), one Li(5), one Li(9), one Mn(1), and one Mn(7) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(6)Li3Mn3 octahedra, corners with three equivalent O(9)Li4Mn2 octahedra,  a cornercorner with one O(14)Li2Mn3 square pyramid,  an edgeedge with one O(16)Li3Mn3 octahedra,  an edgeedge with one O(19)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(23)Li4Mn2 octahedra, edges with two equivalent O(17)Li3Mn3 octahedra, edges with two equivalent O(21)Li4Mn2 octahedra, and edges with two equivalent O(3)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-16°. In the twelfth O site, O(12) is bonded to one Li(10), one Li(14), one Li(2), one Li(6), one Mn(2), and one Mn(6) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(5)Li3Mn3 octahedra, corners with three equivalent O(10)Li4Mn2 octahedra,  an edgeedge with one O(13)Li3Mn3 octahedra,  an edgeedge with one O(20)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra,  an edgeedge with one O(24)Li4Mn2 octahedra, edges with two equivalent O(18)Li3Mn3 octahedra, edges with two equivalent O(22)Li4Mn2 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, and  an edgeedge with one O(15)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 0-6°. In the thirteenth O site, O(13) is bonded to one Li(10), one Li(14), one Li(7), one Mn(5), one Mn(8), and one Mn(9) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(23)Li4Mn2 octahedra, corners with three equivalent O(4)Li4Mn2 octahedra,  an edgeedge with one O(18)Li3Mn3 octahedra,  an edgeedge with one O(19)Li3Mn3 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(12)Li4Mn2 octahedra,  an edgeedge with one O(22)Li4Mn2 octahedra,  an edgeedge with one O(9)Li4Mn2 octahedra, edges with two equivalent O(5)Li3Mn3 octahedra, edges with two equivalent O(7)Li3Mn3 octahedra, and edges with two equivalent O(15)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 4-7°. In the fourteenth O site, O(14) is bonded to one Li(8), one Li(9), one Mn(10), one Mn(3), and one Mn(4) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(17)Li3Mn3 octahedra,  a cornercorner with one O(6)Li3Mn3 octahedra,  a cornercorner with one O(8)Li3Mn3 octahedra,  a cornercorner with one O(11)Li4Mn2 octahedra, corners with two equivalent O(3)Li4Mn2 octahedra, corners with three equivalent O(24)Li4Mn2 octahedra,  an edgeedge with one O(20)Li3Mn3 octahedra,  an edgeedge with one O(6)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(10)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra,  an edgeedge with one O(21)Li4Mn2 octahedra, and edges with two equivalent O(16)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 1-80°. In the fifteenth O site, O(15) is bonded to one Li(10), one Li(7), one Mn(2), one Mn(5), and one Mn(9) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(19)Li3Mn3 octahedra,  a cornercorner with one O(5)Li3Mn3 octahedra,  a cornercorner with one O(7)Li3Mn3 octahedra,  a cornercorner with one O(9)Li4Mn2 octahedra, corners with two equivalent O(1)Li4Mn2 octahedra, corners with three equivalent O(22)Li4Mn2 octahedra,  an edgeedge with one O(18)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(12)Li4Mn2 octahedra,  an edgeedge with one O(23)Li4Mn2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra, and edges with two equivalent O(13)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 1-80°. In the sixteenth O site, O(16) is bonded to one Li(12), one Li(8), one Li(9), one Mn(10), one Mn(4), and one Mn(7) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(2)Li4Mn2 octahedra, corners with three equivalent O(21)Li4Mn2 octahedra,  an edgeedge with one O(17)Li3Mn3 octahedra,  an edgeedge with one O(20)Li3Mn3 octahedra,  an edgeedge with one O(10)Li4Mn2 octahedra,  an edgeedge with one O(11)Li4Mn2 octahedra,  an edgeedge with one O(24)Li4Mn2 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra, edges with two equivalent O(6)Li3Mn3 octahedra, edges with two equivalent O(8)Li3Mn3 octahedra, and edges with two equivalent O(14)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 4-7°. In the seventeenth O site, O(17) is bonded to one Li(1), one Li(13), one Li(3), one Mn(1), one Mn(4), and one Mn(7) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(19)Li3Mn3 octahedra, corners with three equivalent O(8)Li3Mn3 octahedra,  a cornercorner with one O(14)Li2Mn3 square pyramid,  an edgeedge with one O(16)Li3Mn3 octahedra,  an edgeedge with one O(6)Li3Mn3 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(23)Li4Mn2 octahedra,  an edgeedge with one O(9)Li4Mn2 octahedra, edges with two equivalent O(11)Li4Mn2 octahedra, edges with two equivalent O(21)Li4Mn2 octahedra, and edges with two equivalent O(3)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the eighteenth O site, O(18) is bonded to one Li(14), one Li(2), one Li(4), one Mn(2), one Mn(6), and one Mn(9) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(20)Li3Mn3 octahedra, corners with three equivalent O(7)Li3Mn3 octahedra,  an edgeedge with one O(13)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(10)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra,  an edgeedge with one O(24)Li4Mn2 octahedra, edges with two equivalent O(12)Li4Mn2 octahedra, edges with two equivalent O(22)Li4Mn2 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, and  an edgeedge with one O(15)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 0-7°. In the nineteenth O site, O(19) is bonded to one Li(1), one Li(11), one Li(3), one Mn(1), one Mn(5), and one Mn(8) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(17)Li3Mn3 octahedra, corners with three equivalent O(5)Li3Mn3 octahedra,  a cornercorner with one O(15)Li2Mn3 square pyramid,  an edgeedge with one O(13)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(11)Li4Mn2 octahedra,  an edgeedge with one O(21)Li4Mn2 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with two equivalent O(23)Li4Mn2 octahedra, and edges with two equivalent O(9)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the twentieth O site, O(20) is bonded to one Li(12), one Li(2), one Li(4), one Mn(10), one Mn(3), and one Mn(6) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(18)Li3Mn3 octahedra, corners with three equivalent O(6)Li3Mn3 octahedra,  an edgeedge with one O(16)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(12)Li4Mn2 octahedra,  an edgeedge with one O(22)Li4Mn2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra, edges with two equivalent O(10)Li4Mn2 octahedra, edges with two equivalent O(2)Li4Mn2 octahedra, edges with two equivalent O(24)Li4Mn2 octahedra, and  an edgeedge with one O(14)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 0-7°. In the twenty-first O site, O(21) is bonded to one Li(1), one Li(3), one Li(5), one Li(9), one Mn(4), and one Mn(7) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(16)Li3Mn3 octahedra, corners with three equivalent O(23)Li4Mn2 octahedra,  an edgeedge with one O(19)Li3Mn3 octahedra,  an edgeedge with one O(6)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(9)Li4Mn2 octahedra, edges with two equivalent O(17)Li3Mn3 octahedra, edges with two equivalent O(11)Li4Mn2 octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, and  an edgeedge with one O(14)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 0-5°. In the twenty-second O site, O(22) is bonded to one Li(10), one Li(2), one Li(4), one Li(6), one Mn(2), and one Mn(9) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(24)Li4Mn2 octahedra, corners with three equivalent O(15)Li2Mn3 square pyramids,  an edgeedge with one O(13)Li3Mn3 octahedra,  an edgeedge with one O(20)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(10)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra, edges with two equivalent O(18)Li3Mn3 octahedra, edges with two equivalent O(12)Li4Mn2 octahedra, and edges with two equivalent O(4)Li4Mn2 octahedra. The corner-sharing octahedra are not tilted. In the twenty-third O site, O(23) is bonded to one Li(1), one Li(3), one Li(5), one Li(7), one Mn(5), and one Mn(8) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(13)Li3Mn3 octahedra, corners with three equivalent O(21)Li4Mn2 octahedra,  an edgeedge with one O(17)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(11)Li4Mn2 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra, edges with two equivalent O(19)Li3Mn3 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with two equivalent O(9)Li4Mn2 octahedra, and  an edgeedge with one O(15)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 0-5°. In the twenty-fourth O site, O(24) is bonded to one Li(2), one Li(4), one Li(6), one Li(8), one Mn(10), and one Mn(3) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(22)Li4Mn2 octahedra, corners with three equivalent O(14)Li2Mn3 square pyramids,  an edgeedge with one O(16)Li3Mn3 octahedra,  an edgeedge with one O(18)Li3Mn3 octahedra,  an edgeedge with one O(6)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(12)Li4Mn2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra, edges with two equivalent O(20)Li3Mn3 octahedra, edges with two equivalent O(10)Li4Mn2 octahedra, and edges with two equivalent O(2)Li4Mn2 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li7Mn5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.824
_cell_length_b   6.006
_cell_length_c   14.459
_cell_angle_alpha   93.728
_cell_angle_beta   90.413
_cell_angle_gamma   118.941
_symmetry_Int_Tables_number   1
_cell_volume   441.198
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.667  0.333  0.167  1.0
  Li  Li1  1  0.169  0.337  0.666  1.0
  Li  Li2  1  0.166  0.833  0.167  1.0
  Li  Li3  1  0.668  0.834  0.667  1.0
  Li  Li4  1  0.667  0.833  0.167  1.0
  Li  Li5  1  0.167  0.834  0.667  1.0
  Li  Li6  1  0.342  0.180  0.329  1.0
  Li  Li7  1  0.837  0.173  0.834  1.0
  Li  Li8  1  0.991  0.487  0.004  1.0
  Li  Li9  1  0.496  0.493  0.500  1.0
  Li  Li10  1  0.848  0.698  0.318  1.0
  Li  Li11  1  0.325  0.658  0.838  1.0
  Li  Li12  1  0.485  0.968  0.016  1.0
  Li  Li13  1  0.009  0.008  0.496  1.0
  Mn  Mn14  1  0.167  0.333  0.167  1.0
  Mn  Mn15  1  0.491  0.986  0.503  1.0
  Mn  Mn16  1  0.842  0.680  0.830  1.0
  Mn  Mn17  1  0.504  0.499  0.002  1.0
  Mn  Mn18  1  0.829  0.167  0.331  1.0
  Mn  Mn19  1  0.667  0.333  0.667  1.0
  Mn  Mn20  1  0.991  0.987  0.004  1.0
  Mn  Mn21  1  0.342  0.679  0.330  1.0
  Mn  Mn22  1  0.996  0.496  0.502  1.0
  Mn  Mn23  1  0.337  0.170  0.831  1.0
  O  O24  1  0.012  0.045  0.246  1.0
  O  O25  1  0.511  0.048  0.745  1.0
  O  O26  1  0.322  0.622  0.088  1.0
  O  O27  1  0.823  0.618  0.588  1.0
  O  O28  1  0.644  0.826  0.421  1.0
  O  O29  1  0.146  0.829  0.915  1.0
  O  O30  1  0.187  0.837  0.418  1.0
  O  O31  1  0.689  0.840  0.913  1.0
  O  O32  1  0.478  0.501  0.251  1.0
  O  O33  1  0.978  0.502  0.750  1.0
  O  O34  1  0.855  0.166  0.082  1.0
  O  O35  1  0.355  0.164  0.583  1.0
  O  O36  1  0.137  0.329  0.419  1.0
  O  O37  1  0.671  0.375  0.906  1.0
  O  O38  1  0.662  0.291  0.428  1.0
  O  O39  1  0.196  0.338  0.915  1.0
  O  O40  1  0.306  0.154  0.087  1.0
  O  O41  1  0.803  0.150  0.589  1.0
  O  O42  1  0.028  0.513  0.247  1.0
  O  O43  1  0.530  0.516  0.745  1.0
  O  O44  1  0.812  0.651  0.079  1.0
  O  O45  1  0.333  0.688  0.572  1.0
  O  O46  1  0.521  0.016  0.255  1.0
  O  O47  1  1.000  0.978  0.761  1.0
[/CIF]
.
The material described by Li7Mn5O12 crystallizes in the triclinic P1 space group. There are fourteen inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(17), one O(19), one O(21), one O(23), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Mn(7)O6 octahedra, corners with three equivalent Mn(8)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(11)O5 square pyramid, and  an edgeedge with one Li(13)O5 square pyramid. The corner-sharing octahedral tilt angles range from 5-6°. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(18), one O(20), one O(22), and one O(24) atom to form LiO6 octahedra that share corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(14)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(9)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the third Li site, Li(3) is bonded to one O(1), one O(17), one O(19), one O(21), one O(23), and one O(3) atom to form LiO6 octahedra that share corners with three equivalent Mn(4)O6 octahedra, corners with three equivalent Mn(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(11)O5 square pyramid, and  an edgeedge with one Li(13)O5 square pyramid. The corner-sharing octahedral tilt angles range from 1-13°. In the fourth Li site, Li(4) is bonded to one O(18), one O(2), one O(20), one O(22), one O(24), and one O(4) atom to form LiO6 octahedra that share corners with three equivalent Mn(10)O6 octahedra, corners with three equivalent Mn(9)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(14)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-13°. In the fifth Li site, Li(5) is bonded to one O(1), one O(11), one O(21), one O(23), one O(3), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Li(7)O6 octahedra, corners with three equivalent Li(9)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(11)O5 square pyramid, and  an edgeedge with one Li(13)O5 square pyramid. The corner-sharing octahedral tilt angles range from 7-12°. In the sixth Li site, Li(6) is bonded to one O(10), one O(12), one O(2), one O(22), one O(24), and one O(4) atom to form LiO6 octahedra that share corners with three equivalent Li(10)O6 octahedra, corners with three equivalent Li(8)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(14)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(9)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-15°. In the seventh Li site, Li(7) is bonded to one O(1), one O(13), one O(15), one O(23), one O(7), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Mn(9)O6 octahedra,  a cornercorner with one Li(11)O5 square pyramid,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(14)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, edges with two equivalent Mn(8)O6 octahedra, and  an edgeedge with one Li(11)O5 square pyramid. The corner-sharing octahedral tilt angles range from 6-18°. In the eighth Li site, Li(8) is bonded to one O(10), one O(14), one O(16), one O(2), one O(24), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Li(6)O6 octahedra, corners with three equivalent Mn(4)O6 octahedra,  a cornercorner with one Li(13)O5 square pyramid,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, edges with two equivalent Li(12)O6 octahedra, edges with two equivalent Mn(10)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-17°. In the ninth Li site, Li(9) is bonded to one O(11), one O(14), one O(16), one O(21), one O(3), and one O(6) atom to form LiO6 octahedra that share corners with three equivalent Li(5)O6 octahedra, corners with three equivalent Mn(10)O6 octahedra,  a cornercorner with one Li(13)O5 square pyramid,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, edges with two equivalent Mn(7)O6 octahedra, and  an edgeedge with one Li(13)O5 square pyramid. The corner-sharing octahedral tilt angles range from 5-18°. In the tenth Li site, Li(10) is bonded to one O(12), one O(13), one O(15), one O(22), one O(4), and one O(5) atom to form LiO6 octahedra that share corners with three equivalent Li(6)O6 octahedra, corners with three equivalent Mn(5)O6 octahedra,  a cornercorner with one Li(11)O5 square pyramid,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Li(14)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-17°. In the eleventh Li site, Li(11) is bonded to one O(1), one O(19), one O(5), one O(7), and one O(9) atom to form LiO5 square pyramids that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(9)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(14)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and edges with two equivalent Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-87°. In the twelfth Li site, Li(12) is bonded to one O(10), one O(16), one O(2), one O(20), one O(6), and one O(8) atom to form distorted LiO6 octahedra that share corners with three equivalent Mn(6)O6 octahedra, corners with three equivalent Mn(7)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Mn(10)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and  an edgeedge with one Li(13)O5 square pyramid. The corner-sharing octahedral tilt angles range from 5-11°. In the thirteenth Li site, Li(13) is bonded to one O(11), one O(17), one O(3), one O(6), and one O(8) atom to form LiO5 square pyramids that share  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Mn(10)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with three equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, and edges with two equivalent Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-87°. In the fourteenth Li site, Li(14) is bonded to one O(12), one O(13), one O(18), one O(4), one O(5), and one O(7) atom to form distorted LiO6 octahedra that share corners with three equivalent Mn(6)O6 octahedra, corners with three equivalent Mn(8)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with two equivalent Li(10)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(9)O6 octahedra, and  an edgeedge with one Li(11)O5 square pyramid. The corner-sharing octahedral tilt angles range from 5-11°. There are ten inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(11), one O(17), one O(19), one O(3), and one O(9) atom to form MnO6 octahedra that share corners with three equivalent Li(11)O5 square pyramids, corners with three equivalent Li(13)O5 square pyramids,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Li(5)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(12), one O(15), one O(18), one O(22), one O(5), and one O(7) atom to form MnO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with two equivalent Li(11)O5 square pyramids,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Li(10)O6 octahedra, edges with two equivalent Li(14)O6 octahedra, and edges with two equivalent Mn(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the third Mn site, Mn(3) is bonded to one O(10), one O(14), one O(20), one O(24), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with two equivalent Li(13)O5 square pyramids,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, edges with two equivalent Li(12)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Mn(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-7°. In the fourth Mn site, Mn(4) is bonded to one O(14), one O(16), one O(17), one O(21), one O(3), and one O(8) atom to form distorted MnO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(8)O6 octahedra,  a cornercorner with one Li(13)O5 square pyramid,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, edges with two equivalent Mn(7)O6 octahedra, and  an edgeedge with one Li(13)O5 square pyramid. The corner-sharing octahedral tilt angles range from 1-17°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(13), one O(15), one O(19), one O(23), and one O(5) atom to form distorted MnO6 octahedra that share corners with three equivalent Li(10)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  a cornercorner with one Li(11)O5 square pyramid,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(14)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(9)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Mn(8)O6 octahedra, and  an edgeedge with one Li(11)O5 square pyramid. The corner-sharing octahedral tilt angles range from 1-17°. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(12), one O(18), one O(2), one O(20), and one O(4) atom to form MnO6 octahedra that share corners with three equivalent Li(12)O6 octahedra, corners with three equivalent Li(14)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(9)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the seventh Mn site, Mn(7) is bonded to one O(11), one O(16), one O(17), one O(21), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(12)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Li(13)O5 square pyramids. The corner-sharing octahedral tilt angles range from 5-11°. In the eighth Mn site, Mn(8) is bonded to one O(13), one O(19), one O(23), one O(5), one O(7), and one O(9) atom to form MnO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(14)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(9)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Mn(5)O6 octahedra, and edges with two equivalent Li(11)O5 square pyramids. The corner-sharing octahedral tilt angles range from 5-11°. In the ninth Mn site, Mn(9) is bonded to one O(13), one O(15), one O(18), one O(22), one O(4), and one O(7) atom to form MnO6 octahedra that share corners with three equivalent Li(4)O6 octahedra, corners with three equivalent Li(7)O6 octahedra,  a cornercorner with one Li(11)O5 square pyramid,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Li(10)O6 octahedra, edges with two equivalent Li(14)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-18°. In the tenth Mn site, Mn(10) is bonded to one O(14), one O(16), one O(2), one O(20), one O(24), and one O(6) atom to form MnO6 octahedra that share corners with three equivalent Li(4)O6 octahedra, corners with three equivalent Li(9)O6 octahedra,  a cornercorner with one Li(13)O5 square pyramid,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, edges with two equivalent Li(12)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-18°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(11), one Li(3), one Li(5), one Li(7), one Mn(1), and one Mn(5) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(3)Li4Mn2 octahedra, corners with two equivalent O(15)Li2Mn3 square pyramids,  an edgeedge with one O(13)Li3Mn3 octahedra,  an edgeedge with one O(17)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(11)Li4Mn2 octahedra,  an edgeedge with one O(21)Li4Mn2 octahedra, edges with two equivalent O(19)Li3Mn3 octahedra, edges with two equivalent O(23)Li4Mn2 octahedra, and edges with two equivalent O(9)Li4Mn2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(12), one Li(4), one Li(6), one Li(8), one Mn(10), and one Mn(6) atom to form distorted OLi4Mn2 octahedra that share corners with three equivalent O(16)Li3Mn3 octahedra, corners with three equivalent O(4)Li4Mn2 octahedra,  an edgeedge with one O(18)Li3Mn3 octahedra,  an edgeedge with one O(6)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(12)Li4Mn2 octahedra,  an edgeedge with one O(22)Li4Mn2 octahedra, edges with two equivalent O(20)Li3Mn3 octahedra, edges with two equivalent O(10)Li4Mn2 octahedra, edges with two equivalent O(24)Li4Mn2 octahedra, and  an edgeedge with one O(14)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 0-7°. In the third O site, O(3) is bonded to one Li(13), one Li(3), one Li(5), one Li(9), one Mn(1), and one Mn(4) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(1)Li4Mn2 octahedra, corners with two equivalent O(14)Li2Mn3 square pyramids,  an edgeedge with one O(16)Li3Mn3 octahedra,  an edgeedge with one O(19)Li3Mn3 octahedra,  an edgeedge with one O(6)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(23)Li4Mn2 octahedra,  an edgeedge with one O(9)Li4Mn2 octahedra, edges with two equivalent O(17)Li3Mn3 octahedra, edges with two equivalent O(11)Li4Mn2 octahedra, and edges with two equivalent O(21)Li4Mn2 octahedra. The corner-sharing octahedra are not tilted. In the fourth O site, O(4) is bonded to one Li(10), one Li(14), one Li(4), one Li(6), one Mn(6), and one Mn(9) atom to form distorted OLi4Mn2 octahedra that share corners with three equivalent O(13)Li3Mn3 octahedra, corners with three equivalent O(2)Li4Mn2 octahedra,  an edgeedge with one O(20)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(10)Li4Mn2 octahedra,  an edgeedge with one O(24)Li4Mn2 octahedra, edges with two equivalent O(18)Li3Mn3 octahedra, edges with two equivalent O(12)Li4Mn2 octahedra, edges with two equivalent O(22)Li4Mn2 octahedra, and  an edgeedge with one O(15)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 0-7°. In the fifth O site, O(5) is bonded to one Li(10), one Li(11), one Li(14), one Mn(2), one Mn(5), and one Mn(8) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(19)Li3Mn3 octahedra, corners with three equivalent O(12)Li4Mn2 octahedra,  a cornercorner with one O(15)Li2Mn3 square pyramid,  an edgeedge with one O(18)Li3Mn3 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(22)Li4Mn2 octahedra,  an edgeedge with one O(23)Li4Mn2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra,  an edgeedge with one O(9)Li4Mn2 octahedra, edges with two equivalent O(13)Li3Mn3 octahedra, edges with two equivalent O(7)Li3Mn3 octahedra, and  an edgeedge with one O(15)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 2-15°. In the sixth O site, O(6) is bonded to one Li(12), one Li(13), one Li(9), one Mn(10), one Mn(3), and one Mn(7) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(20)Li3Mn3 octahedra, corners with three equivalent O(11)Li4Mn2 octahedra,  a cornercorner with one O(14)Li2Mn3 square pyramid,  an edgeedge with one O(17)Li3Mn3 octahedra,  an edgeedge with one O(10)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra,  an edgeedge with one O(21)Li4Mn2 octahedra,  an edgeedge with one O(24)Li4Mn2 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra, edges with two equivalent O(16)Li3Mn3 octahedra, edges with two equivalent O(8)Li3Mn3 octahedra, and  an edgeedge with one O(14)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 0-16°. In the seventh O site, O(7) is bonded to one Li(11), one Li(14), one Li(7), one Mn(2), one Mn(8), and one Mn(9) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(18)Li3Mn3 octahedra, corners with three equivalent O(9)Li4Mn2 octahedra,  a cornercorner with one O(15)Li2Mn3 square pyramid,  an edgeedge with one O(19)Li3Mn3 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(12)Li4Mn2 octahedra,  an edgeedge with one O(22)Li4Mn2 octahedra,  an edgeedge with one O(23)Li4Mn2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra, edges with two equivalent O(13)Li3Mn3 octahedra, edges with two equivalent O(5)Li3Mn3 octahedra, and  an edgeedge with one O(15)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 1-16°. In the eighth O site, O(8) is bonded to one Li(12), one Li(13), one Li(8), one Mn(3), one Mn(4), and one Mn(7) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(17)Li3Mn3 octahedra, corners with three equivalent O(10)Li4Mn2 octahedra,  a cornercorner with one O(14)Li2Mn3 square pyramid,  an edgeedge with one O(20)Li3Mn3 octahedra,  an edgeedge with one O(11)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra,  an edgeedge with one O(21)Li4Mn2 octahedra,  an edgeedge with one O(24)Li4Mn2 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra, edges with two equivalent O(16)Li3Mn3 octahedra, edges with two equivalent O(6)Li3Mn3 octahedra, and  an edgeedge with one O(14)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 2-15°. In the ninth O site, O(9) is bonded to one Li(1), one Li(11), one Li(5), one Li(7), one Mn(1), and one Mn(8) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(7)Li3Mn3 octahedra, corners with three equivalent O(11)Li4Mn2 octahedra,  a cornercorner with one O(15)Li2Mn3 square pyramid,  an edgeedge with one O(13)Li3Mn3 octahedra,  an edgeedge with one O(17)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(21)Li4Mn2 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra, edges with two equivalent O(19)Li3Mn3 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, and edges with two equivalent O(23)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-16°. In the tenth O site, O(10) is bonded to one Li(12), one Li(2), one Li(6), one Li(8), one Mn(3), and one Mn(6) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(8)Li3Mn3 octahedra, corners with three equivalent O(12)Li4Mn2 octahedra,  an edgeedge with one O(16)Li3Mn3 octahedra,  an edgeedge with one O(18)Li3Mn3 octahedra,  an edgeedge with one O(6)Li3Mn3 octahedra,  an edgeedge with one O(22)Li4Mn2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra, edges with two equivalent O(20)Li3Mn3 octahedra, edges with two equivalent O(2)Li4Mn2 octahedra, edges with two equivalent O(24)Li4Mn2 octahedra, and  an edgeedge with one O(14)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 0-6°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(13), one Li(5), one Li(9), one Mn(1), and one Mn(7) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(6)Li3Mn3 octahedra, corners with three equivalent O(9)Li4Mn2 octahedra,  a cornercorner with one O(14)Li2Mn3 square pyramid,  an edgeedge with one O(16)Li3Mn3 octahedra,  an edgeedge with one O(19)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(23)Li4Mn2 octahedra, edges with two equivalent O(17)Li3Mn3 octahedra, edges with two equivalent O(21)Li4Mn2 octahedra, and edges with two equivalent O(3)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-16°. In the twelfth O site, O(12) is bonded to one Li(10), one Li(14), one Li(2), one Li(6), one Mn(2), and one Mn(6) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(5)Li3Mn3 octahedra, corners with three equivalent O(10)Li4Mn2 octahedra,  an edgeedge with one O(13)Li3Mn3 octahedra,  an edgeedge with one O(20)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra,  an edgeedge with one O(24)Li4Mn2 octahedra, edges with two equivalent O(18)Li3Mn3 octahedra, edges with two equivalent O(22)Li4Mn2 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, and  an edgeedge with one O(15)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 0-6°. In the thirteenth O site, O(13) is bonded to one Li(10), one Li(14), one Li(7), one Mn(5), one Mn(8), and one Mn(9) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(23)Li4Mn2 octahedra, corners with three equivalent O(4)Li4Mn2 octahedra,  an edgeedge with one O(18)Li3Mn3 octahedra,  an edgeedge with one O(19)Li3Mn3 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(12)Li4Mn2 octahedra,  an edgeedge with one O(22)Li4Mn2 octahedra,  an edgeedge with one O(9)Li4Mn2 octahedra, edges with two equivalent O(5)Li3Mn3 octahedra, edges with two equivalent O(7)Li3Mn3 octahedra, and edges with two equivalent O(15)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 4-7°. In the fourteenth O site, O(14) is bonded to one Li(8), one Li(9), one Mn(10), one Mn(3), and one Mn(4) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(17)Li3Mn3 octahedra,  a cornercorner with one O(6)Li3Mn3 octahedra,  a cornercorner with one O(8)Li3Mn3 octahedra,  a cornercorner with one O(11)Li4Mn2 octahedra, corners with two equivalent O(3)Li4Mn2 octahedra, corners with three equivalent O(24)Li4Mn2 octahedra,  an edgeedge with one O(20)Li3Mn3 octahedra,  an edgeedge with one O(6)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(10)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra,  an edgeedge with one O(21)Li4Mn2 octahedra, and edges with two equivalent O(16)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 1-80°. In the fifteenth O site, O(15) is bonded to one Li(10), one Li(7), one Mn(2), one Mn(5), and one Mn(9) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(19)Li3Mn3 octahedra,  a cornercorner with one O(5)Li3Mn3 octahedra,  a cornercorner with one O(7)Li3Mn3 octahedra,  a cornercorner with one O(9)Li4Mn2 octahedra, corners with two equivalent O(1)Li4Mn2 octahedra, corners with three equivalent O(22)Li4Mn2 octahedra,  an edgeedge with one O(18)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(12)Li4Mn2 octahedra,  an edgeedge with one O(23)Li4Mn2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra, and edges with two equivalent O(13)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 1-80°. In the sixteenth O site, O(16) is bonded to one Li(12), one Li(8), one Li(9), one Mn(10), one Mn(4), and one Mn(7) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(2)Li4Mn2 octahedra, corners with three equivalent O(21)Li4Mn2 octahedra,  an edgeedge with one O(17)Li3Mn3 octahedra,  an edgeedge with one O(20)Li3Mn3 octahedra,  an edgeedge with one O(10)Li4Mn2 octahedra,  an edgeedge with one O(11)Li4Mn2 octahedra,  an edgeedge with one O(24)Li4Mn2 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra, edges with two equivalent O(6)Li3Mn3 octahedra, edges with two equivalent O(8)Li3Mn3 octahedra, and edges with two equivalent O(14)Li2Mn3 square pyramids. The corner-sharing octahedral tilt angles range from 4-7°. In the seventeenth O site, O(17) is bonded to one Li(1), one Li(13), one Li(3), one Mn(1), one Mn(4), and one Mn(7) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(19)Li3Mn3 octahedra, corners with three equivalent O(8)Li3Mn3 octahedra,  a cornercorner with one O(14)Li2Mn3 square pyramid,  an edgeedge with one O(16)Li3Mn3 octahedra,  an edgeedge with one O(6)Li3Mn3 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(23)Li4Mn2 octahedra,  an edgeedge with one O(9)Li4Mn2 octahedra, edges with two equivalent O(11)Li4Mn2 octahedra, edges with two equivalent O(21)Li4Mn2 octahedra, and edges with two equivalent O(3)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the eighteenth O site, O(18) is bonded to one Li(14), one Li(2), one Li(4), one Mn(2), one Mn(6), and one Mn(9) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(20)Li3Mn3 octahedra, corners with three equivalent O(7)Li3Mn3 octahedra,  an edgeedge with one O(13)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(10)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra,  an edgeedge with one O(24)Li4Mn2 octahedra, edges with two equivalent O(12)Li4Mn2 octahedra, edges with two equivalent O(22)Li4Mn2 octahedra, edges with two equivalent O(4)Li4Mn2 octahedra, and  an edgeedge with one O(15)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 0-7°. In the nineteenth O site, O(19) is bonded to one Li(1), one Li(11), one Li(3), one Mn(1), one Mn(5), and one Mn(8) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(17)Li3Mn3 octahedra, corners with three equivalent O(5)Li3Mn3 octahedra,  a cornercorner with one O(15)Li2Mn3 square pyramid,  an edgeedge with one O(13)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(11)Li4Mn2 octahedra,  an edgeedge with one O(21)Li4Mn2 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with two equivalent O(23)Li4Mn2 octahedra, and edges with two equivalent O(9)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the twentieth O site, O(20) is bonded to one Li(12), one Li(2), one Li(4), one Mn(10), one Mn(3), and one Mn(6) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(18)Li3Mn3 octahedra, corners with three equivalent O(6)Li3Mn3 octahedra,  an edgeedge with one O(16)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(12)Li4Mn2 octahedra,  an edgeedge with one O(22)Li4Mn2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra, edges with two equivalent O(10)Li4Mn2 octahedra, edges with two equivalent O(2)Li4Mn2 octahedra, edges with two equivalent O(24)Li4Mn2 octahedra, and  an edgeedge with one O(14)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 0-7°. In the twenty-first O site, O(21) is bonded to one Li(1), one Li(3), one Li(5), one Li(9), one Mn(4), and one Mn(7) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(16)Li3Mn3 octahedra, corners with three equivalent O(23)Li4Mn2 octahedra,  an edgeedge with one O(19)Li3Mn3 octahedra,  an edgeedge with one O(6)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(1)Li4Mn2 octahedra,  an edgeedge with one O(9)Li4Mn2 octahedra, edges with two equivalent O(17)Li3Mn3 octahedra, edges with two equivalent O(11)Li4Mn2 octahedra, edges with two equivalent O(3)Li4Mn2 octahedra, and  an edgeedge with one O(14)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 0-5°. In the twenty-second O site, O(22) is bonded to one Li(10), one Li(2), one Li(4), one Li(6), one Mn(2), and one Mn(9) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(24)Li4Mn2 octahedra, corners with three equivalent O(15)Li2Mn3 square pyramids,  an edgeedge with one O(13)Li3Mn3 octahedra,  an edgeedge with one O(20)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(10)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra, edges with two equivalent O(18)Li3Mn3 octahedra, edges with two equivalent O(12)Li4Mn2 octahedra, and edges with two equivalent O(4)Li4Mn2 octahedra. The corner-sharing octahedra are not tilted. In the twenty-third O site, O(23) is bonded to one Li(1), one Li(3), one Li(5), one Li(7), one Mn(5), and one Mn(8) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(13)Li3Mn3 octahedra, corners with three equivalent O(21)Li4Mn2 octahedra,  an edgeedge with one O(17)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(11)Li4Mn2 octahedra,  an edgeedge with one O(3)Li4Mn2 octahedra, edges with two equivalent O(19)Li3Mn3 octahedra, edges with two equivalent O(1)Li4Mn2 octahedra, edges with two equivalent O(9)Li4Mn2 octahedra, and  an edgeedge with one O(15)Li2Mn3 square pyramid. The corner-sharing octahedral tilt angles range from 0-5°. In the twenty-fourth O site, O(24) is bonded to one Li(2), one Li(4), one Li(6), one Li(8), one Mn(10), and one Mn(3) atom to form OLi4Mn2 octahedra that share corners with three equivalent O(22)Li4Mn2 octahedra, corners with three equivalent O(14)Li2Mn3 square pyramids,  an edgeedge with one O(16)Li3Mn3 octahedra,  an edgeedge with one O(18)Li3Mn3 octahedra,  an edgeedge with one O(6)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(12)Li4Mn2 octahedra,  an edgeedge with one O(4)Li4Mn2 octahedra, edges with two equivalent O(20)Li3Mn3 octahedra, edges with two equivalent O(10)Li4Mn2 octahedra, and edges with two equivalent O(2)Li4Mn2 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li7Mn5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.824
_cell_length_b   6.006
_cell_length_c   14.459
_cell_angle_alpha   93.728
_cell_angle_beta   90.413
_cell_angle_gamma   118.941
_symmetry_Int_Tables_number   1
_cell_volume   441.198
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.667  0.333  0.167  1.0
  Li  Li1  1  0.169  0.337  0.666  1.0
  Li  Li2  1  0.166  0.833  0.167  1.0
  Li  Li3  1  0.668  0.834  0.667  1.0
  Li  Li4  1  0.667  0.833  0.167  1.0
  Li  Li5  1  0.167  0.834  0.667  1.0
  Li  Li6  1  0.342  0.180  0.329  1.0
  Li  Li7  1  0.837  0.173  0.834  1.0
  Li  Li8  1  0.991  0.487  0.004  1.0
  Li  Li9  1  0.496  0.493  0.500  1.0
  Li  Li10  1  0.848  0.698  0.318  1.0
  Li  Li11  1  0.325  0.658  0.838  1.0
  Li  Li12  1  0.485  0.968  0.016  1.0
  Li  Li13  1  0.009  0.008  0.496  1.0
  Mn  Mn14  1  0.167  0.333  0.167  1.0
  Mn  Mn15  1  0.491  0.986  0.503  1.0
  Mn  Mn16  1  0.842  0.680  0.830  1.0
  Mn  Mn17  1  0.504  0.499  0.002  1.0
  Mn  Mn18  1  0.829  0.167  0.331  1.0
  Mn  Mn19  1  0.667  0.333  0.667  1.0
  Mn  Mn20  1  0.991  0.987  0.004  1.0
  Mn  Mn21  1  0.342  0.679  0.330  1.0
  Mn  Mn22  1  0.996  0.496  0.502  1.0
  Mn  Mn23  1  0.337  0.170  0.831  1.0
  O  O24  1  0.012  0.045  0.246  1.0
  O  O25  1  0.511  0.048  0.745  1.0
  O  O26  1  0.322  0.622  0.088  1.0
  O  O27  1  0.823  0.618  0.588  1.0
  O  O28  1  0.644  0.826  0.421  1.0
  O  O29  1  0.146  0.829  0.915  1.0
  O  O30  1  0.187  0.837  0.418  1.0
  O  O31  1  0.689  0.840  0.913  1.0
  O  O32  1  0.478  0.501  0.251  1.0
  O  O33  1  0.978  0.502  0.750  1.0
  O  O34  1  0.855  0.166  0.082  1.0
  O  O35  1  0.355  0.164  0.583  1.0
  O  O36  1  0.137  0.329  0.419  1.0
  O  O37  1  0.671  0.375  0.906  1.0
  O  O38  1  0.662  0.291  0.428  1.0
  O  O39  1  0.196  0.338  0.915  1.0
  O  O40  1  0.306  0.154  0.087  1.0
  O  O41  1  0.803  0.150  0.589  1.0
  O  O42  1  0.028  0.513  0.247  1.0
  O  O43  1  0.530  0.516  0.745  1.0
  O  O44  1  0.812  0.651  0.079  1.0
  O  O45  1  0.333  0.688  0.572  1.0
  O  O46  1  0.521  0.016  0.255  1.0
  O  O47  1  1.000  0.978  0.761  1.0
[/CIF]
.