The crystal structure described by Li5Mn5O12 crystallizes in the triclinic P1 space group. There are ten inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(16), one O(20), one O(21), one O(5), one O(6), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-20°. In the second Li site, Li(2) is bonded to one O(10), one O(11), one O(12), one O(2), one O(24), and one O(3) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Mn(10)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Mn(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-18°. In the third Li site, Li(3) is bonded to one O(1), one O(13), one O(15), one O(18), one O(4), and one O(5) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(9)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with two equivalent Li(10)O6 octahedra, and edges with two equivalent Mn(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-16°. In the fourth Li site, Li(4) is bonded to one O(12), one O(15), one O(17), one O(2), one O(4), and one O(6) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(9)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, and edges with two equivalent Mn(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-20°. In the fifth Li site, Li(5) is bonded to one O(16), one O(18), one O(21), one O(5), one O(7), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Mn(10)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-15°. In the sixth Li site, Li(6) is bonded to one O(17), one O(18), one O(19), one O(4), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Mn(10)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-17°. In the seventh Li site, Li(7) is bonded to one O(11), one O(12), one O(15), one O(2), one O(23), and one O(24) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra,  an edgeedge with one Mn(9)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-15°. In the eighth Li site, Li(8) is bonded to one O(1), one O(13), one O(14), one O(15), one O(22), and one O(23) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra,  an edgeedge with one Mn(9)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-18°. In the ninth Li site, Li(9) is bonded to one O(12), one O(16), one O(17), one O(2), one O(3), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(9)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-15°. In the tenth Li site, Li(10) is bonded to one O(1), one O(13), one O(16), one O(18), one O(3), and one O(5) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(9)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. There are ten inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(18), one O(19), one O(21), one O(4), one O(5), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-21°. In the second Mn site, Mn(2) is bonded to one O(10), one O(21), one O(22), one O(24), one O(7), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(9)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(9)O6 octahedra, and edges with two equivalent Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-18°. In the third Mn site, Mn(3) is bonded to one O(11), one O(20), one O(23), one O(24), one O(7), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(9)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, and edges with two equivalent Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-17°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(11), one O(14), one O(15), one O(2), and one O(23) atom to form MnO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Mn(10)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-21°. In the fifth Mn site, Mn(5) is bonded to one O(12), one O(13), one O(16), one O(3), one O(5), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(9)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(9)O6 octahedra, edges with two equivalent Li(10)O6 octahedra, and edges with two equivalent Li(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-16°. In the sixth Mn site, Mn(6) is bonded to one O(16), one O(17), one O(20), one O(6), one O(7), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Mn(10)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-18°. In the seventh Mn site, Mn(7) is bonded to one O(10), one O(14), one O(19), one O(21), one O(22), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra,  an edgeedge with one Mn(9)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-21°. In the eighth Mn site, Mn(8) is bonded to one O(11), one O(14), one O(19), one O(20), one O(23), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)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, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-21°. In the ninth Mn site, Mn(9) is bonded to one O(10), one O(12), one O(13), one O(22), one O(24), and one O(3) atom to form MnO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-17°. In the tenth Mn site, Mn(10) is bonded to one O(1), one O(15), one O(17), one O(18), one O(2), and one O(4) atom to form MnO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-17°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(10), one Li(3), one Li(8), one Mn(10), and one Mn(4) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(16)Li4Mn2 octahedra,  a cornercorner with one O(18)Li4Mn2 octahedra,  a cornercorner with one O(11)Li2Mn3 square pyramid,  a cornercorner with one O(13)Li3Mn2 square pyramid,  a cornercorner with one O(17)Li3Mn2 square pyramid,  a cornercorner with one O(3)Li3Mn2 square pyramid, corners with two equivalent O(14)LiMn3 trigonal pyramids,  an edgeedge with one O(18)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra, edges with two equivalent O(15)Li4Mn2 octahedra,  an edgeedge with one O(23)Li2Mn3 square pyramid,  an edgeedge with one O(13)Li3Mn2 square pyramid, and  an edgeedge with one O(4)Li3Mn2 square pyramid. The corner-sharing octahedral tilt angles range from 7-12°. In the second O site, O(2) is bonded to one Li(2), one Li(4), one Li(7), one Li(9), one Mn(10), and one Mn(4) atom to form OLi4Mn2 octahedra that share  a cornercorner with one O(16)Li4Mn2 octahedra,  a cornercorner with one O(18)Li4Mn2 octahedra,  a cornercorner with one O(11)Li2Mn3 square pyramid,  a cornercorner with one O(17)Li3Mn2 square pyramid,  a cornercorner with one O(14)LiMn3 trigonal pyramid, edges with two equivalent O(12)Li4Mn2 octahedra, edges with two equivalent O(15)Li4Mn2 octahedra,  an edgeedge with one O(11)Li2Mn3 square pyramid,  an edgeedge with one O(23)Li2Mn3 square pyramid,  an edgeedge with one O(24)Li2Mn3 square pyramid,  an edgeedge with one O(1)Li3Mn2 square pyramid,  an edgeedge with one O(17)Li3Mn2 square pyramid,  an edgeedge with one O(3)Li3Mn2 square pyramid,  an edgeedge with one O(4)Li3Mn2 square pyramid, and  an edgeedge with one O(6)Li3Mn2 square pyramid. The corner-sharing octahedral tilt angles range from 7-11°. In the third O site, O(3) is bonded to one Li(10), one Li(2), one Li(9), one Mn(5), and one Mn(9) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(16)Li4Mn2 octahedra,  a cornercorner with one O(18)Li4Mn2 octahedra,  a cornercorner with one O(11)Li2Mn3 square pyramid,  a cornercorner with one O(1)Li3Mn2 square pyramid,  a cornercorner with one O(13)Li3Mn2 square pyramid,  a cornercorner with one O(17)Li3Mn2 square pyramid,  an edgeedge with one O(16)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra, edges with two equivalent O(12)Li4Mn2 octahedra,  an edgeedge with one O(24)Li2Mn3 square pyramid,  an edgeedge with one O(13)Li3Mn2 square pyramid, and  an edgeedge with one O(6)Li3Mn2 square pyramid. The corner-sharing octahedral tilt angles range from 6-13°. In the fourth O site, O(4) is bonded to one Li(3), one Li(4), one Li(6), one Mn(1), and one Mn(10) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(12)Li4Mn2 octahedra,  a cornercorner with one O(15)Li4Mn2 octahedra,  a cornercorner with one O(21)Li2Mn3 square pyramid,  a cornercorner with one O(13)Li3Mn2 square pyramid,  a cornercorner with one O(17)Li3Mn2 square pyramid,  a cornercorner with one O(6)Li3Mn2 square pyramid, corners with two equivalent O(19)LiMn3 trigonal pyramids,  an edgeedge with one O(15)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra, edges with two equivalent O(18)Li4Mn2 octahedra,  an edgeedge with one O(8)Li2Mn3 square pyramid,  an edgeedge with one O(1)Li3Mn2 square pyramid, and  an edgeedge with one O(17)Li3Mn2 square pyramid. The corner-sharing octahedral tilt angles range from 2-8°. In the fifth O site, O(5) is bonded to one Li(1), one Li(10), one Li(3), one Li(5), one Mn(1), and one Mn(5) atom to form OLi4Mn2 octahedra that share  a cornercorner with one O(12)Li4Mn2 octahedra,  a cornercorner with one O(15)Li4Mn2 octahedra,  a cornercorner with one O(21)Li2Mn3 square pyramid,  a cornercorner with one O(13)Li3Mn2 square pyramid,  a cornercorner with one O(19)LiMn3 trigonal pyramid, edges with two equivalent O(16)Li4Mn2 octahedra, edges with two equivalent O(18)Li4Mn2 octahedra,  an edgeedge with one O(21)Li2Mn3 square pyramid,  an edgeedge with one O(7)Li2Mn3 square pyramid,  an edgeedge with one O(8)Li2Mn3 square pyramid,  an edgeedge with one O(1)Li3Mn2 square pyramid,  an edgeedge with one O(13)Li3Mn2 square pyramid,  an edgeedge with one O(3)Li3Mn2 square pyramid,  an edgeedge with one O(4)Li3Mn2 square pyramid, and  an edgeedge with one O(6)Li3Mn2 square pyramid. The corner-sharing octahedral tilt angles range from 5-7°. In the sixth O site, O(6) is bonded to one Li(1), one Li(4), one Li(9), one Mn(5), and one Mn(6) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(12)Li4Mn2 octahedra,  a cornercorner with one O(15)Li4Mn2 octahedra,  a cornercorner with one O(21)Li2Mn3 square pyramid,  a cornercorner with one O(13)Li3Mn2 square pyramid,  a cornercorner with one O(17)Li3Mn2 square pyramid,  a cornercorner with one O(4)Li3Mn2 square pyramid,  an edgeedge with one O(12)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra, edges with two equivalent O(16)Li4Mn2 octahedra,  an edgeedge with one O(7)Li2Mn3 square pyramid,  an edgeedge with one O(17)Li3Mn2 square pyramid, and  an edgeedge with one O(3)Li3Mn2 square pyramid. The corner-sharing octahedral tilt angles range from 14-15°. In the seventh O site, O(7) is bonded to one Li(1), one Li(5), one Mn(2), one Mn(3), and one Mn(6) atom to form distorted OLi2Mn3 square pyramids that share  a cornercorner with one O(16)Li4Mn2 octahedra,  a cornercorner with one O(18)Li4Mn2 octahedra,  a cornercorner with one O(11)Li2Mn3 square pyramid,  a cornercorner with one O(21)Li2Mn3 square pyramid,  a cornercorner with one O(23)Li2Mn3 square pyramid,  a cornercorner with one O(17)Li3Mn2 square pyramid,  an edgeedge with one O(16)Li4Mn2 octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra,  an edgeedge with one O(21)Li2Mn3 square pyramid,  an edgeedge with one O(24)Li2Mn3 square pyramid,  an edgeedge with one O(8)Li2Mn3 square pyramid, and  an edgeedge with one O(6)Li3Mn2 square pyramid. The corner-sharing octahedral tilt angles range from 3-17°. In the eighth O site, O(8) is bonded to one Li(5), one Li(6), one Mn(1), one Mn(2), and one Mn(7) atom to form distorted OLi2Mn3 square pyramids that share  a cornercorner with one O(16)Li4Mn2 octahedra,  a cornercorner with one O(18)Li4Mn2 octahedra,  a cornercorner with one O(24)Li2Mn3 square pyramid,  a cornercorner with one O(17)Li3Mn2 square pyramid,  a cornercorner with one O(14)LiMn3 trigonal pyramid,  a cornercorner with one O(19)LiMn3 trigonal pyramid,  an edgeedge with one O(18)Li4Mn2 octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra,  an edgeedge with one O(7)Li2Mn3 square pyramid,  an edgeedge with one O(4)Li3Mn2 square pyramid, edges with two equivalent O(21)Li2Mn3 square pyramids, and  an edgeedge with one O(19)LiMn3 trigonal pyramid. The corner-sharing octahedral tilt angles range from 6-18°. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(6), one Mn(3), one Mn(6), and one Mn(8) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(2), one Mn(7), and one Mn(9) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Li(7), one Mn(3), one Mn(4), and one Mn(8) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(2)Li4Mn2 octahedra,  a cornercorner with one O(24)Li2Mn3 square pyramid,  a cornercorner with one O(7)Li2Mn3 square pyramid,  a cornercorner with one O(1)Li3Mn2 square pyramid,  a cornercorner with one O(3)Li3Mn2 square pyramid,  a cornercorner with one O(19)LiMn3 trigonal pyramid,  an edgeedge with one O(12)Li4Mn2 octahedra,  an edgeedge with one O(15)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra,  an edgeedge with one O(24)Li2Mn3 square pyramid, edges with two equivalent O(23)Li2Mn3 square pyramids, and  an edgeedge with one O(14)LiMn3 trigonal pyramid. The corner-sharing octahedral tilt angles are 11°. In the twelfth O site, O(12) is bonded to one Li(2), one Li(4), one Li(7), one Li(9), one Mn(5), and one Mn(9) atom to form distorted OLi4Mn2 octahedra that share  a cornercorner with one O(5)Li4Mn2 octahedra,  a cornercorner with one O(23)Li2Mn3 square pyramid,  a cornercorner with one O(24)Li2Mn3 square pyramid,  a cornercorner with one O(4)Li3Mn2 square pyramid,  a cornercorner with one O(6)Li3Mn2 square pyramid,  an edgeedge with one O(15)Li4Mn2 octahedra,  an edgeedge with one O(16)Li4Mn2 octahedra, edges with two equivalent O(2)Li4Mn2 octahedra,  an edgeedge with one O(11)Li2Mn3 square pyramid,  an edgeedge with one O(24)Li2Mn3 square pyramid,  an edgeedge with one O(13)Li3Mn2 square pyramid,  an edgeedge with one O(17)Li3Mn2 square pyramid,  an edgeedge with one O(6)Li3Mn2 square pyramid, and edges with two equivalent O(3)Li3Mn2 square pyramids. The corner-sharing octahedral tilt angles are 5°. In the thirteenth O site, O(13) is bonded to one Li(10), one Li(3), one Li(8), one Mn(5), and one Mn(9) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(5)Li4Mn2 octahedra,  a cornercorner with one O(23)Li2Mn3 square pyramid,  a cornercorner with one O(24)Li2Mn3 square pyramid,  a cornercorner with one O(1)Li3Mn2 square pyramid,  a cornercorner with one O(3)Li3Mn2 square pyramid,  a cornercorner with one O(4)Li3Mn2 square pyramid,  a cornercorner with one O(6)Li3Mn2 square pyramid,  a cornercorner with one O(14)LiMn3 trigonal pyramid,  an edgeedge with one O(12)Li4Mn2 octahedra,  an edgeedge with one O(15)Li4Mn2 octahedra,  an edgeedge with one O(16)Li4Mn2 octahedra,  an edgeedge with one O(18)Li4Mn2 octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra,  an edgeedge with one O(1)Li3Mn2 square pyramid, and  an edgeedge with one O(3)Li3Mn2 square pyramid. The corner-sharing octahedral tilt angles are 11°. In the fourteenth O site, O(14) is bonded to one Li(8), one Mn(4), one Mn(7), and one Mn(8) atom to form OLiMn3 trigonal pyramids that share  a cornercorner with one O(2)Li4Mn2 octahedra,  a cornercorner with one O(21)Li2Mn3 square pyramid,  a cornercorner with one O(23)Li2Mn3 square pyramid,  a cornercorner with one O(8)Li2Mn3 square pyramid,  a cornercorner with one O(13)Li3Mn2 square pyramid, corners with two equivalent O(1)Li3Mn2 square pyramids,  an edgeedge with one O(15)Li4Mn2 octahedra,  an edgeedge with one O(11)Li2Mn3 square pyramid,  an edgeedge with one O(23)Li2Mn3 square pyramid, and  an edgeedge with one O(19)LiMn3 trigonal pyramid. The corner-sharing octahedral tilt angles are 8°. In the fifteenth O site, O(15) is bonded to one Li(3), one Li(4), one Li(7), one Li(8), one Mn(10), and one Mn(4) atom to form OLi4Mn2 octahedra that share  a cornercorner with one O(5)Li4Mn2 octahedra,  a cornercorner with one O(23)Li2Mn3 square pyramid,  a cornercorner with one O(24)Li2Mn3 square pyramid,  a cornercorner with one O(4)Li3Mn2 square pyramid,  a cornercorner with one O(6)Li3Mn2 square pyramid,  an edgeedge with one O(12)Li4Mn2 octahedra,  an edgeedge with one O(18)Li4Mn2 octahedra, edges with two equivalent O(2)Li4Mn2 octahedra,  an edgeedge with one O(11)Li2Mn3 square pyramid,  an edgeedge with one O(23)Li2Mn3 square pyramid,  an edgeedge with one O(13)Li3Mn2 square pyramid,  an edgeedge with one O(17)Li3Mn2 square pyramid,  an edgeedge with one O(4)Li3Mn2 square pyramid, edges with two equivalent O(1)Li3Mn2 square pyramids, and  an edgeedge with one O(14)LiMn3 trigonal pyramid. The corner-sharing octahedral tilt angles are 7°. In the sixteenth O site, O(16) is bonded to one Li(1), one Li(10), one Li(5), one Li(9), one Mn(5), and one Mn(6) atom to form distorted OLi4Mn2 octahedra that share  a cornercorner with one O(2)Li4Mn2 octahedra,  a cornercorner with one O(7)Li2Mn3 square pyramid,  a cornercorner with one O(8)Li2Mn3 square pyramid,  a cornercorner with one O(1)Li3Mn2 square pyramid,  a cornercorner with one O(3)Li3Mn2 square pyramid,  an edgeedge with one O(12)Li4Mn2 octahedra,  an edgeedge with one O(18)Li4Mn2 octahedra, edges with two equivalent O(5)Li4Mn2 octahedra,  an edgeedge with one O(21)Li2Mn3 square pyramid,  an edgeedge with one O(7)Li2Mn3 square pyramid,  an edgeedge with one O(13)Li3Mn2 square pyramid,  an edgeedge with one O(17)Li3Mn2 square pyramid,  an edgeedge with one O(3)Li3Mn2 square pyramid, and edges with two equivalent O(6)Li3Mn2 square pyramids. The corner-sharing octahedral tilt angles are 11°. In the seventeenth O site, O(17) is bonded to one Li(4), one Li(6), one Li(9), one Mn(10), and one Mn(6) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(2)Li4Mn2 octahedra,  a cornercorner with one O(7)Li2Mn3 square pyramid,  a cornercorner with one O(8)Li2Mn3 square pyramid,  a cornercorner with one O(1)Li3Mn2 square pyramid,  a cornercorner with one O(3)Li3Mn2 square pyramid,  a cornercorner with one O(4)Li3Mn2 square pyramid,  a cornercorner with one O(6)Li3Mn2 square pyramid,  a cornercorner with one O(19)LiMn3 trigonal pyramid,  an edgeedge with one O(12)Li4Mn2 octahedra,  an edgeedge with one O(15)Li4Mn2 octahedra,  an edgeedge with one O(16)Li4Mn2 octahedra,  an edgeedge with one O(18)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra,  an edgeedge with one O(4)Li3Mn2 square pyramid, and  an edgeedge with one O(6)Li3Mn2 square pyramid. The corner-sharing octahedral tilt angles are 3°. In the eighteenth O site, O(18) is bonded to one Li(10), one Li(3), one Li(5), one Li(6), one Mn(1), and one Mn(10) atom to form OLi4Mn2 octahedra that share  a cornercorner with one O(2)Li4Mn2 octahedra,  a cornercorner with one O(7)Li2Mn3 square pyramid,  a cornercorner with one O(8)Li2Mn3 square pyramid,  a cornercorner with one O(1)Li3Mn2 square pyramid,  a cornercorner with one O(3)Li3Mn2 square pyramid,  an edgeedge with one O(15)Li4Mn2 octahedra,  an edgeedge with one O(16)Li4Mn2 octahedra, edges with two equivalent O(5)Li4Mn2 octahedra,  an edgeedge with one O(21)Li2Mn3 square pyramid,  an edgeedge with one O(8)Li2Mn3 square pyramid,  an edgeedge with one O(1)Li3Mn2 square pyramid,  an edgeedge with one O(13)Li3Mn2 square pyramid,  an edgeedge with one O(17)Li3Mn2 square pyramid, edges with two equivalent O(4)Li3Mn2 square pyramids, and  an edgeedge with one O(19)LiMn3 trigonal pyramid. The corner-sharing octahedral tilt angles are 7°. In the nineteenth O site, O(19) is bonded to one Li(6), one Mn(1), one Mn(7), and one Mn(8) atom to form OLiMn3 trigonal pyramids that share  a cornercorner with one O(5)Li4Mn2 octahedra,  a cornercorner with one O(11)Li2Mn3 square pyramid,  a cornercorner with one O(23)Li2Mn3 square pyramid,  a cornercorner with one O(8)Li2Mn3 square pyramid,  a cornercorner with one O(17)Li3Mn2 square pyramid, corners with two equivalent O(4)Li3Mn2 square pyramids,  an edgeedge with one O(18)Li4Mn2 octahedra,  an edgeedge with one O(21)Li2Mn3 square pyramid,  an edgeedge with one O(8)Li2Mn3 square pyramid, and  an edgeedge with one O(14)LiMn3 trigonal pyramid. The corner-sharing octahedral tilt angles are 12°. In the twentieth O site, O(20) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(3), one Mn(6), and one Mn(8) atom. In the twenty-first O site, O(21) is bonded to one Li(1), one Li(5), one Mn(1), one Mn(2), and one Mn(7) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(5)Li4Mn2 octahedra,  a cornercorner with one O(24)Li2Mn3 square pyramid,  a cornercorner with one O(7)Li2Mn3 square pyramid,  a cornercorner with one O(4)Li3Mn2 square pyramid,  a cornercorner with one O(6)Li3Mn2 square pyramid,  a cornercorner with one O(14)LiMn3 trigonal pyramid,  an edgeedge with one O(16)Li4Mn2 octahedra,  an edgeedge with one O(18)Li4Mn2 octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra,  an edgeedge with one O(7)Li2Mn3 square pyramid, edges with two equivalent O(8)Li2Mn3 square pyramids, and  an edgeedge with one O(19)LiMn3 trigonal pyramid. The corner-sharing octahedral tilt angles are 8°. In the twenty-second O site, O(22) is bonded in a rectangular see-saw-like geometry to one Li(8), one Mn(2), one Mn(7), and one Mn(9) atom. In the twenty-third O site, O(23) is bonded to one Li(7), one Li(8), one Mn(3), one Mn(4), and one Mn(8) atom to form distorted OLi2Mn3 square pyramids that share  a cornercorner with one O(12)Li4Mn2 octahedra,  a cornercorner with one O(15)Li4Mn2 octahedra,  a cornercorner with one O(7)Li2Mn3 square pyramid,  a cornercorner with one O(13)Li3Mn2 square pyramid,  a cornercorner with one O(14)LiMn3 trigonal pyramid,  a cornercorner with one O(19)LiMn3 trigonal pyramid,  an edgeedge with one O(15)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra,  an edgeedge with one O(24)Li2Mn3 square pyramid,  an edgeedge with one O(1)Li3Mn2 square pyramid, edges with two equivalent O(11)Li2Mn3 square pyramids, and  an edgeedge with one O(14)LiMn3 trigonal pyramid. The corner-sharing octahedral tilt angles range from 12-22°. In the twenty-fourth O site, O(24) is bonded to one Li(2), one Li(7), one Mn(2), one Mn(3), and one Mn(9) atom to form distorted OLi2Mn3 square pyramids that share  a cornercorner with one O(12)Li4Mn2 octahedra,  a cornercorner with one O(15)Li4Mn2 octahedra,  a cornercorner with one O(11)Li2Mn3 square pyramid,  a cornercorner with one O(21)Li2Mn3 square pyramid,  a cornercorner with one O(8)Li2Mn3 square pyramid,  a cornercorner with one O(13)Li3Mn2 square pyramid,  an edgeedge with one O(12)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra,  an edgeedge with one O(11)Li2Mn3 square pyramid,  an edgeedge with one O(23)Li2Mn3 square pyramid,  an edgeedge with one O(7)Li2Mn3 square pyramid, and  an edgeedge with one O(3)Li3Mn2 square pyramid. The corner-sharing octahedral tilt angles range from 6-14°. is represented by the CIF card [CIF]
data_Li5Mn5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.020
_cell_length_b   8.886
_cell_length_c   9.416
_cell_angle_alpha   84.164
_cell_angle_beta   84.919
_cell_angle_gamma   86.218
_symmetry_Int_Tables_number   1
_cell_volume   415.480
_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  0.994  0.174  0.488  1.0
  Li  Li1  1  0.256  0.080  0.007  1.0
  Li  Li2  1  0.381  0.536  0.244  1.0
  Li  Li3  1  0.365  0.870  0.255  1.0
  Li  Li4  1  0.514  0.337  0.491  1.0
  Li  Li5  1  0.482  0.684  0.489  1.0
  Li  Li6  1  0.734  0.910  0.016  1.0
  Li  Li7  1  0.755  0.569  0.011  1.0
  Li  Li8  1  0.886  0.036  0.255  1.0
  Li  Li9  1  0.898  0.378  0.243  1.0
  Mn  Mn10  1  0.007  0.509  0.496  1.0
  Mn  Mn11  1  0.136  0.290  0.751  1.0
  Mn  Mn12  1  0.110  0.960  0.745  1.0
  Mn  Mn13  1  0.249  0.737  0.004  1.0
  Mn  Mn14  1  0.371  0.213  0.246  1.0
  Mn  Mn15  1  0.513  0.003  0.493  1.0
  Mn  Mn16  1  0.606  0.461  0.750  1.0
  Mn  Mn17  1  0.640  0.792  0.747  1.0
  Mn  Mn18  1  0.751  0.245  0.004  1.0
  Mn  Mn19  1  0.871  0.712  0.253  1.0
  O  O20  1  0.065  0.584  0.122  1.0
  O  O21  1  0.055  0.870  0.133  1.0
  O  O22  1  0.071  0.214  0.139  1.0
  O  O23  1  0.161  0.669  0.383  1.0
  O  O24  1  0.192  0.359  0.378  1.0
  O  O25  1  0.234  0.043  0.368  1.0
  O  O26  1  0.272  0.129  0.630  1.0
  O  O27  1  0.300  0.455  0.633  1.0
  O  O28  1  0.343  0.839  0.623  1.0
  O  O29  1  0.440  0.293  0.858  1.0
  O  O30  1  0.402  0.912  0.876  1.0
  O  O31  1  0.572  0.085  0.115  1.0
  O  O32  1  0.571  0.371  0.136  1.0
  O  O33  1  0.482  0.623  0.867  1.0
  O  O34  1  0.575  0.726  0.133  1.0
  O  O35  1  0.664  0.170  0.387  1.0
  O  O36  1  0.670  0.859  0.373  1.0
  O  O37  1  0.727  0.538  0.372  1.0
  O  O38  1  0.768  0.627  0.632  1.0
  O  O39  1  0.797  0.961  0.637  1.0
  O  O40  1  0.831  0.341  0.620  1.0
  O  O41  1  0.896  0.414  0.873  1.0
  O  O42  1  0.937  0.798  0.860  1.0
  O  O43  1  0.978  0.120  0.869  1.0
[/CIF]
.
The crystal structure described by Li5Mn5O12 crystallizes in the triclinic P1 space group. There are ten inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(16), one O(20), one O(21), one O(5), one O(6), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-20°. In the second Li site, Li(2) is bonded to one O(10), one O(11), one O(12), one O(2), one O(24), and one O(3) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Mn(10)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Mn(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-18°. In the third Li site, Li(3) is bonded to one O(1), one O(13), one O(15), one O(18), one O(4), and one O(5) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(9)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, edges with two equivalent Li(10)O6 octahedra, and edges with two equivalent Mn(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-16°. In the fourth Li site, Li(4) is bonded to one O(12), one O(15), one O(17), one O(2), one O(4), and one O(6) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(9)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, and edges with two equivalent Mn(10)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-20°. In the fifth Li site, Li(5) is bonded to one O(16), one O(18), one O(21), one O(5), one O(7), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Mn(10)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-15°. In the sixth Li site, Li(6) is bonded to one O(17), one O(18), one O(19), one O(4), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Mn(10)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-17°. In the seventh Li site, Li(7) is bonded to one O(11), one O(12), one O(15), one O(2), one O(23), and one O(24) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra,  an edgeedge with one Mn(9)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-15°. In the eighth Li site, Li(8) is bonded to one O(1), one O(13), one O(14), one O(15), one O(22), and one O(23) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra,  an edgeedge with one Mn(9)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-18°. In the ninth Li site, Li(9) is bonded to one O(12), one O(16), one O(17), one O(2), one O(3), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(9)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-15°. In the tenth Li site, Li(10) is bonded to one O(1), one O(13), one O(16), one O(18), one O(3), and one O(5) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(9)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. There are ten inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(18), one O(19), one O(21), one O(4), one O(5), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Li(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-21°. In the second Mn site, Mn(2) is bonded to one O(10), one O(21), one O(22), one O(24), one O(7), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(9)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(9)O6 octahedra, and edges with two equivalent Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-18°. In the third Mn site, Mn(3) is bonded to one O(11), one O(20), one O(23), one O(24), one O(7), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(9)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, and edges with two equivalent Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-17°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(11), one O(14), one O(15), one O(2), and one O(23) atom to form MnO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Mn(10)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Li(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-21°. In the fifth Mn site, Mn(5) is bonded to one O(12), one O(13), one O(16), one O(3), one O(5), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(7)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(9)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(9)O6 octahedra, edges with two equivalent Li(10)O6 octahedra, and edges with two equivalent Li(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-16°. In the sixth Mn site, Mn(6) is bonded to one O(16), one O(17), one O(20), one O(6), one O(7), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(10)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  a cornercorner with one Mn(10)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-18°. In the seventh Mn site, Mn(7) is bonded to one O(10), one O(14), one O(19), one O(21), one O(22), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra,  an edgeedge with one Mn(9)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-21°. In the eighth Mn site, Mn(8) is bonded to one O(11), one O(14), one O(19), one O(20), one O(23), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)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, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-21°. In the ninth Mn site, Mn(9) is bonded to one O(10), one O(12), one O(13), one O(22), one O(24), and one O(3) atom to form MnO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-17°. In the tenth Mn site, Mn(10) is bonded to one O(1), one O(15), one O(17), one O(18), one O(2), and one O(4) atom to form MnO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Li(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-17°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(10), one Li(3), one Li(8), one Mn(10), and one Mn(4) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(16)Li4Mn2 octahedra,  a cornercorner with one O(18)Li4Mn2 octahedra,  a cornercorner with one O(11)Li2Mn3 square pyramid,  a cornercorner with one O(13)Li3Mn2 square pyramid,  a cornercorner with one O(17)Li3Mn2 square pyramid,  a cornercorner with one O(3)Li3Mn2 square pyramid, corners with two equivalent O(14)LiMn3 trigonal pyramids,  an edgeedge with one O(18)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra, edges with two equivalent O(15)Li4Mn2 octahedra,  an edgeedge with one O(23)Li2Mn3 square pyramid,  an edgeedge with one O(13)Li3Mn2 square pyramid, and  an edgeedge with one O(4)Li3Mn2 square pyramid. The corner-sharing octahedral tilt angles range from 7-12°. In the second O site, O(2) is bonded to one Li(2), one Li(4), one Li(7), one Li(9), one Mn(10), and one Mn(4) atom to form OLi4Mn2 octahedra that share  a cornercorner with one O(16)Li4Mn2 octahedra,  a cornercorner with one O(18)Li4Mn2 octahedra,  a cornercorner with one O(11)Li2Mn3 square pyramid,  a cornercorner with one O(17)Li3Mn2 square pyramid,  a cornercorner with one O(14)LiMn3 trigonal pyramid, edges with two equivalent O(12)Li4Mn2 octahedra, edges with two equivalent O(15)Li4Mn2 octahedra,  an edgeedge with one O(11)Li2Mn3 square pyramid,  an edgeedge with one O(23)Li2Mn3 square pyramid,  an edgeedge with one O(24)Li2Mn3 square pyramid,  an edgeedge with one O(1)Li3Mn2 square pyramid,  an edgeedge with one O(17)Li3Mn2 square pyramid,  an edgeedge with one O(3)Li3Mn2 square pyramid,  an edgeedge with one O(4)Li3Mn2 square pyramid, and  an edgeedge with one O(6)Li3Mn2 square pyramid. The corner-sharing octahedral tilt angles range from 7-11°. In the third O site, O(3) is bonded to one Li(10), one Li(2), one Li(9), one Mn(5), and one Mn(9) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(16)Li4Mn2 octahedra,  a cornercorner with one O(18)Li4Mn2 octahedra,  a cornercorner with one O(11)Li2Mn3 square pyramid,  a cornercorner with one O(1)Li3Mn2 square pyramid,  a cornercorner with one O(13)Li3Mn2 square pyramid,  a cornercorner with one O(17)Li3Mn2 square pyramid,  an edgeedge with one O(16)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra, edges with two equivalent O(12)Li4Mn2 octahedra,  an edgeedge with one O(24)Li2Mn3 square pyramid,  an edgeedge with one O(13)Li3Mn2 square pyramid, and  an edgeedge with one O(6)Li3Mn2 square pyramid. The corner-sharing octahedral tilt angles range from 6-13°. In the fourth O site, O(4) is bonded to one Li(3), one Li(4), one Li(6), one Mn(1), and one Mn(10) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(12)Li4Mn2 octahedra,  a cornercorner with one O(15)Li4Mn2 octahedra,  a cornercorner with one O(21)Li2Mn3 square pyramid,  a cornercorner with one O(13)Li3Mn2 square pyramid,  a cornercorner with one O(17)Li3Mn2 square pyramid,  a cornercorner with one O(6)Li3Mn2 square pyramid, corners with two equivalent O(19)LiMn3 trigonal pyramids,  an edgeedge with one O(15)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra, edges with two equivalent O(18)Li4Mn2 octahedra,  an edgeedge with one O(8)Li2Mn3 square pyramid,  an edgeedge with one O(1)Li3Mn2 square pyramid, and  an edgeedge with one O(17)Li3Mn2 square pyramid. The corner-sharing octahedral tilt angles range from 2-8°. In the fifth O site, O(5) is bonded to one Li(1), one Li(10), one Li(3), one Li(5), one Mn(1), and one Mn(5) atom to form OLi4Mn2 octahedra that share  a cornercorner with one O(12)Li4Mn2 octahedra,  a cornercorner with one O(15)Li4Mn2 octahedra,  a cornercorner with one O(21)Li2Mn3 square pyramid,  a cornercorner with one O(13)Li3Mn2 square pyramid,  a cornercorner with one O(19)LiMn3 trigonal pyramid, edges with two equivalent O(16)Li4Mn2 octahedra, edges with two equivalent O(18)Li4Mn2 octahedra,  an edgeedge with one O(21)Li2Mn3 square pyramid,  an edgeedge with one O(7)Li2Mn3 square pyramid,  an edgeedge with one O(8)Li2Mn3 square pyramid,  an edgeedge with one O(1)Li3Mn2 square pyramid,  an edgeedge with one O(13)Li3Mn2 square pyramid,  an edgeedge with one O(3)Li3Mn2 square pyramid,  an edgeedge with one O(4)Li3Mn2 square pyramid, and  an edgeedge with one O(6)Li3Mn2 square pyramid. The corner-sharing octahedral tilt angles range from 5-7°. In the sixth O site, O(6) is bonded to one Li(1), one Li(4), one Li(9), one Mn(5), and one Mn(6) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(12)Li4Mn2 octahedra,  a cornercorner with one O(15)Li4Mn2 octahedra,  a cornercorner with one O(21)Li2Mn3 square pyramid,  a cornercorner with one O(13)Li3Mn2 square pyramid,  a cornercorner with one O(17)Li3Mn2 square pyramid,  a cornercorner with one O(4)Li3Mn2 square pyramid,  an edgeedge with one O(12)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra, edges with two equivalent O(16)Li4Mn2 octahedra,  an edgeedge with one O(7)Li2Mn3 square pyramid,  an edgeedge with one O(17)Li3Mn2 square pyramid, and  an edgeedge with one O(3)Li3Mn2 square pyramid. The corner-sharing octahedral tilt angles range from 14-15°. In the seventh O site, O(7) is bonded to one Li(1), one Li(5), one Mn(2), one Mn(3), and one Mn(6) atom to form distorted OLi2Mn3 square pyramids that share  a cornercorner with one O(16)Li4Mn2 octahedra,  a cornercorner with one O(18)Li4Mn2 octahedra,  a cornercorner with one O(11)Li2Mn3 square pyramid,  a cornercorner with one O(21)Li2Mn3 square pyramid,  a cornercorner with one O(23)Li2Mn3 square pyramid,  a cornercorner with one O(17)Li3Mn2 square pyramid,  an edgeedge with one O(16)Li4Mn2 octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra,  an edgeedge with one O(21)Li2Mn3 square pyramid,  an edgeedge with one O(24)Li2Mn3 square pyramid,  an edgeedge with one O(8)Li2Mn3 square pyramid, and  an edgeedge with one O(6)Li3Mn2 square pyramid. The corner-sharing octahedral tilt angles range from 3-17°. In the eighth O site, O(8) is bonded to one Li(5), one Li(6), one Mn(1), one Mn(2), and one Mn(7) atom to form distorted OLi2Mn3 square pyramids that share  a cornercorner with one O(16)Li4Mn2 octahedra,  a cornercorner with one O(18)Li4Mn2 octahedra,  a cornercorner with one O(24)Li2Mn3 square pyramid,  a cornercorner with one O(17)Li3Mn2 square pyramid,  a cornercorner with one O(14)LiMn3 trigonal pyramid,  a cornercorner with one O(19)LiMn3 trigonal pyramid,  an edgeedge with one O(18)Li4Mn2 octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra,  an edgeedge with one O(7)Li2Mn3 square pyramid,  an edgeedge with one O(4)Li3Mn2 square pyramid, edges with two equivalent O(21)Li2Mn3 square pyramids, and  an edgeedge with one O(19)LiMn3 trigonal pyramid. The corner-sharing octahedral tilt angles range from 6-18°. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(6), one Mn(3), one Mn(6), and one Mn(8) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(2), one Mn(7), and one Mn(9) atom. In the eleventh O site, O(11) is bonded to one Li(2), one Li(7), one Mn(3), one Mn(4), and one Mn(8) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(2)Li4Mn2 octahedra,  a cornercorner with one O(24)Li2Mn3 square pyramid,  a cornercorner with one O(7)Li2Mn3 square pyramid,  a cornercorner with one O(1)Li3Mn2 square pyramid,  a cornercorner with one O(3)Li3Mn2 square pyramid,  a cornercorner with one O(19)LiMn3 trigonal pyramid,  an edgeedge with one O(12)Li4Mn2 octahedra,  an edgeedge with one O(15)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra,  an edgeedge with one O(24)Li2Mn3 square pyramid, edges with two equivalent O(23)Li2Mn3 square pyramids, and  an edgeedge with one O(14)LiMn3 trigonal pyramid. The corner-sharing octahedral tilt angles are 11°. In the twelfth O site, O(12) is bonded to one Li(2), one Li(4), one Li(7), one Li(9), one Mn(5), and one Mn(9) atom to form distorted OLi4Mn2 octahedra that share  a cornercorner with one O(5)Li4Mn2 octahedra,  a cornercorner with one O(23)Li2Mn3 square pyramid,  a cornercorner with one O(24)Li2Mn3 square pyramid,  a cornercorner with one O(4)Li3Mn2 square pyramid,  a cornercorner with one O(6)Li3Mn2 square pyramid,  an edgeedge with one O(15)Li4Mn2 octahedra,  an edgeedge with one O(16)Li4Mn2 octahedra, edges with two equivalent O(2)Li4Mn2 octahedra,  an edgeedge with one O(11)Li2Mn3 square pyramid,  an edgeedge with one O(24)Li2Mn3 square pyramid,  an edgeedge with one O(13)Li3Mn2 square pyramid,  an edgeedge with one O(17)Li3Mn2 square pyramid,  an edgeedge with one O(6)Li3Mn2 square pyramid, and edges with two equivalent O(3)Li3Mn2 square pyramids. The corner-sharing octahedral tilt angles are 5°. In the thirteenth O site, O(13) is bonded to one Li(10), one Li(3), one Li(8), one Mn(5), and one Mn(9) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(5)Li4Mn2 octahedra,  a cornercorner with one O(23)Li2Mn3 square pyramid,  a cornercorner with one O(24)Li2Mn3 square pyramid,  a cornercorner with one O(1)Li3Mn2 square pyramid,  a cornercorner with one O(3)Li3Mn2 square pyramid,  a cornercorner with one O(4)Li3Mn2 square pyramid,  a cornercorner with one O(6)Li3Mn2 square pyramid,  a cornercorner with one O(14)LiMn3 trigonal pyramid,  an edgeedge with one O(12)Li4Mn2 octahedra,  an edgeedge with one O(15)Li4Mn2 octahedra,  an edgeedge with one O(16)Li4Mn2 octahedra,  an edgeedge with one O(18)Li4Mn2 octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra,  an edgeedge with one O(1)Li3Mn2 square pyramid, and  an edgeedge with one O(3)Li3Mn2 square pyramid. The corner-sharing octahedral tilt angles are 11°. In the fourteenth O site, O(14) is bonded to one Li(8), one Mn(4), one Mn(7), and one Mn(8) atom to form OLiMn3 trigonal pyramids that share  a cornercorner with one O(2)Li4Mn2 octahedra,  a cornercorner with one O(21)Li2Mn3 square pyramid,  a cornercorner with one O(23)Li2Mn3 square pyramid,  a cornercorner with one O(8)Li2Mn3 square pyramid,  a cornercorner with one O(13)Li3Mn2 square pyramid, corners with two equivalent O(1)Li3Mn2 square pyramids,  an edgeedge with one O(15)Li4Mn2 octahedra,  an edgeedge with one O(11)Li2Mn3 square pyramid,  an edgeedge with one O(23)Li2Mn3 square pyramid, and  an edgeedge with one O(19)LiMn3 trigonal pyramid. The corner-sharing octahedral tilt angles are 8°. In the fifteenth O site, O(15) is bonded to one Li(3), one Li(4), one Li(7), one Li(8), one Mn(10), and one Mn(4) atom to form OLi4Mn2 octahedra that share  a cornercorner with one O(5)Li4Mn2 octahedra,  a cornercorner with one O(23)Li2Mn3 square pyramid,  a cornercorner with one O(24)Li2Mn3 square pyramid,  a cornercorner with one O(4)Li3Mn2 square pyramid,  a cornercorner with one O(6)Li3Mn2 square pyramid,  an edgeedge with one O(12)Li4Mn2 octahedra,  an edgeedge with one O(18)Li4Mn2 octahedra, edges with two equivalent O(2)Li4Mn2 octahedra,  an edgeedge with one O(11)Li2Mn3 square pyramid,  an edgeedge with one O(23)Li2Mn3 square pyramid,  an edgeedge with one O(13)Li3Mn2 square pyramid,  an edgeedge with one O(17)Li3Mn2 square pyramid,  an edgeedge with one O(4)Li3Mn2 square pyramid, edges with two equivalent O(1)Li3Mn2 square pyramids, and  an edgeedge with one O(14)LiMn3 trigonal pyramid. The corner-sharing octahedral tilt angles are 7°. In the sixteenth O site, O(16) is bonded to one Li(1), one Li(10), one Li(5), one Li(9), one Mn(5), and one Mn(6) atom to form distorted OLi4Mn2 octahedra that share  a cornercorner with one O(2)Li4Mn2 octahedra,  a cornercorner with one O(7)Li2Mn3 square pyramid,  a cornercorner with one O(8)Li2Mn3 square pyramid,  a cornercorner with one O(1)Li3Mn2 square pyramid,  a cornercorner with one O(3)Li3Mn2 square pyramid,  an edgeedge with one O(12)Li4Mn2 octahedra,  an edgeedge with one O(18)Li4Mn2 octahedra, edges with two equivalent O(5)Li4Mn2 octahedra,  an edgeedge with one O(21)Li2Mn3 square pyramid,  an edgeedge with one O(7)Li2Mn3 square pyramid,  an edgeedge with one O(13)Li3Mn2 square pyramid,  an edgeedge with one O(17)Li3Mn2 square pyramid,  an edgeedge with one O(3)Li3Mn2 square pyramid, and edges with two equivalent O(6)Li3Mn2 square pyramids. The corner-sharing octahedral tilt angles are 11°. In the seventeenth O site, O(17) is bonded to one Li(4), one Li(6), one Li(9), one Mn(10), and one Mn(6) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(2)Li4Mn2 octahedra,  a cornercorner with one O(7)Li2Mn3 square pyramid,  a cornercorner with one O(8)Li2Mn3 square pyramid,  a cornercorner with one O(1)Li3Mn2 square pyramid,  a cornercorner with one O(3)Li3Mn2 square pyramid,  a cornercorner with one O(4)Li3Mn2 square pyramid,  a cornercorner with one O(6)Li3Mn2 square pyramid,  a cornercorner with one O(19)LiMn3 trigonal pyramid,  an edgeedge with one O(12)Li4Mn2 octahedra,  an edgeedge with one O(15)Li4Mn2 octahedra,  an edgeedge with one O(16)Li4Mn2 octahedra,  an edgeedge with one O(18)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra,  an edgeedge with one O(4)Li3Mn2 square pyramid, and  an edgeedge with one O(6)Li3Mn2 square pyramid. The corner-sharing octahedral tilt angles are 3°. In the eighteenth O site, O(18) is bonded to one Li(10), one Li(3), one Li(5), one Li(6), one Mn(1), and one Mn(10) atom to form OLi4Mn2 octahedra that share  a cornercorner with one O(2)Li4Mn2 octahedra,  a cornercorner with one O(7)Li2Mn3 square pyramid,  a cornercorner with one O(8)Li2Mn3 square pyramid,  a cornercorner with one O(1)Li3Mn2 square pyramid,  a cornercorner with one O(3)Li3Mn2 square pyramid,  an edgeedge with one O(15)Li4Mn2 octahedra,  an edgeedge with one O(16)Li4Mn2 octahedra, edges with two equivalent O(5)Li4Mn2 octahedra,  an edgeedge with one O(21)Li2Mn3 square pyramid,  an edgeedge with one O(8)Li2Mn3 square pyramid,  an edgeedge with one O(1)Li3Mn2 square pyramid,  an edgeedge with one O(13)Li3Mn2 square pyramid,  an edgeedge with one O(17)Li3Mn2 square pyramid, edges with two equivalent O(4)Li3Mn2 square pyramids, and  an edgeedge with one O(19)LiMn3 trigonal pyramid. The corner-sharing octahedral tilt angles are 7°. In the nineteenth O site, O(19) is bonded to one Li(6), one Mn(1), one Mn(7), and one Mn(8) atom to form OLiMn3 trigonal pyramids that share  a cornercorner with one O(5)Li4Mn2 octahedra,  a cornercorner with one O(11)Li2Mn3 square pyramid,  a cornercorner with one O(23)Li2Mn3 square pyramid,  a cornercorner with one O(8)Li2Mn3 square pyramid,  a cornercorner with one O(17)Li3Mn2 square pyramid, corners with two equivalent O(4)Li3Mn2 square pyramids,  an edgeedge with one O(18)Li4Mn2 octahedra,  an edgeedge with one O(21)Li2Mn3 square pyramid,  an edgeedge with one O(8)Li2Mn3 square pyramid, and  an edgeedge with one O(14)LiMn3 trigonal pyramid. The corner-sharing octahedral tilt angles are 12°. In the twentieth O site, O(20) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(3), one Mn(6), and one Mn(8) atom. In the twenty-first O site, O(21) is bonded to one Li(1), one Li(5), one Mn(1), one Mn(2), and one Mn(7) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(5)Li4Mn2 octahedra,  a cornercorner with one O(24)Li2Mn3 square pyramid,  a cornercorner with one O(7)Li2Mn3 square pyramid,  a cornercorner with one O(4)Li3Mn2 square pyramid,  a cornercorner with one O(6)Li3Mn2 square pyramid,  a cornercorner with one O(14)LiMn3 trigonal pyramid,  an edgeedge with one O(16)Li4Mn2 octahedra,  an edgeedge with one O(18)Li4Mn2 octahedra,  an edgeedge with one O(5)Li4Mn2 octahedra,  an edgeedge with one O(7)Li2Mn3 square pyramid, edges with two equivalent O(8)Li2Mn3 square pyramids, and  an edgeedge with one O(19)LiMn3 trigonal pyramid. The corner-sharing octahedral tilt angles are 8°. In the twenty-second O site, O(22) is bonded in a rectangular see-saw-like geometry to one Li(8), one Mn(2), one Mn(7), and one Mn(9) atom. In the twenty-third O site, O(23) is bonded to one Li(7), one Li(8), one Mn(3), one Mn(4), and one Mn(8) atom to form distorted OLi2Mn3 square pyramids that share  a cornercorner with one O(12)Li4Mn2 octahedra,  a cornercorner with one O(15)Li4Mn2 octahedra,  a cornercorner with one O(7)Li2Mn3 square pyramid,  a cornercorner with one O(13)Li3Mn2 square pyramid,  a cornercorner with one O(14)LiMn3 trigonal pyramid,  a cornercorner with one O(19)LiMn3 trigonal pyramid,  an edgeedge with one O(15)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra,  an edgeedge with one O(24)Li2Mn3 square pyramid,  an edgeedge with one O(1)Li3Mn2 square pyramid, edges with two equivalent O(11)Li2Mn3 square pyramids, and  an edgeedge with one O(14)LiMn3 trigonal pyramid. The corner-sharing octahedral tilt angles range from 12-22°. In the twenty-fourth O site, O(24) is bonded to one Li(2), one Li(7), one Mn(2), one Mn(3), and one Mn(9) atom to form distorted OLi2Mn3 square pyramids that share  a cornercorner with one O(12)Li4Mn2 octahedra,  a cornercorner with one O(15)Li4Mn2 octahedra,  a cornercorner with one O(11)Li2Mn3 square pyramid,  a cornercorner with one O(21)Li2Mn3 square pyramid,  a cornercorner with one O(8)Li2Mn3 square pyramid,  a cornercorner with one O(13)Li3Mn2 square pyramid,  an edgeedge with one O(12)Li4Mn2 octahedra,  an edgeedge with one O(2)Li4Mn2 octahedra,  an edgeedge with one O(11)Li2Mn3 square pyramid,  an edgeedge with one O(23)Li2Mn3 square pyramid,  an edgeedge with one O(7)Li2Mn3 square pyramid, and  an edgeedge with one O(3)Li3Mn2 square pyramid. The corner-sharing octahedral tilt angles range from 6-14°. is represented by the CIF card [CIF]
data_Li5Mn5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.020
_cell_length_b   8.886
_cell_length_c   9.416
_cell_angle_alpha   84.164
_cell_angle_beta   84.919
_cell_angle_gamma   86.218
_symmetry_Int_Tables_number   1
_cell_volume   415.480
_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  0.994  0.174  0.488  1.0
  Li  Li1  1  0.256  0.080  0.007  1.0
  Li  Li2  1  0.381  0.536  0.244  1.0
  Li  Li3  1  0.365  0.870  0.255  1.0
  Li  Li4  1  0.514  0.337  0.491  1.0
  Li  Li5  1  0.482  0.684  0.489  1.0
  Li  Li6  1  0.734  0.910  0.016  1.0
  Li  Li7  1  0.755  0.569  0.011  1.0
  Li  Li8  1  0.886  0.036  0.255  1.0
  Li  Li9  1  0.898  0.378  0.243  1.0
  Mn  Mn10  1  0.007  0.509  0.496  1.0
  Mn  Mn11  1  0.136  0.290  0.751  1.0
  Mn  Mn12  1  0.110  0.960  0.745  1.0
  Mn  Mn13  1  0.249  0.737  0.004  1.0
  Mn  Mn14  1  0.371  0.213  0.246  1.0
  Mn  Mn15  1  0.513  0.003  0.493  1.0
  Mn  Mn16  1  0.606  0.461  0.750  1.0
  Mn  Mn17  1  0.640  0.792  0.747  1.0
  Mn  Mn18  1  0.751  0.245  0.004  1.0
  Mn  Mn19  1  0.871  0.712  0.253  1.0
  O  O20  1  0.065  0.584  0.122  1.0
  O  O21  1  0.055  0.870  0.133  1.0
  O  O22  1  0.071  0.214  0.139  1.0
  O  O23  1  0.161  0.669  0.383  1.0
  O  O24  1  0.192  0.359  0.378  1.0
  O  O25  1  0.234  0.043  0.368  1.0
  O  O26  1  0.272  0.129  0.630  1.0
  O  O27  1  0.300  0.455  0.633  1.0
  O  O28  1  0.343  0.839  0.623  1.0
  O  O29  1  0.440  0.293  0.858  1.0
  O  O30  1  0.402  0.912  0.876  1.0
  O  O31  1  0.572  0.085  0.115  1.0
  O  O32  1  0.571  0.371  0.136  1.0
  O  O33  1  0.482  0.623  0.867  1.0
  O  O34  1  0.575  0.726  0.133  1.0
  O  O35  1  0.664  0.170  0.387  1.0
  O  O36  1  0.670  0.859  0.373  1.0
  O  O37  1  0.727  0.538  0.372  1.0
  O  O38  1  0.768  0.627  0.632  1.0
  O  O39  1  0.797  0.961  0.637  1.0
  O  O40  1  0.831  0.341  0.620  1.0
  O  O41  1  0.896  0.414  0.873  1.0
  O  O42  1  0.937  0.798  0.860  1.0
  O  O43  1  0.978  0.120  0.869  1.0
[/CIF]
.