The material 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 in a 6-coordinate geometry to one O(12), one O(13), one O(24), one O(4), one O(8), and one O(9) atom. In the second Li site, Li(2) is bonded to one O(12), one O(13), one O(16), one O(2), one O(21), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with three equivalent Mn(10)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(11), one O(14), one O(18), and one O(19) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  a cornercorner with one Mn(9)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, and  an edgeedge with one Mn(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-19°. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(14), one O(18), and one O(19) atom. In the fifth Li site, Li(5) is bonded to one O(16), one O(2), one O(21), one O(22), one O(3), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(10)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  a cornercorner with one Mn(9)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, and  an edgeedge with one Mn(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-18°. In the sixth Li site, Li(6) is bonded to one O(1), one O(18), one O(19), one O(23), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with three equivalent Mn(3)O6 octahedra, and edges with three equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the seventh Li site, Li(7) is bonded in a 6-coordinate geometry to one O(16), one O(2), one O(21), one O(22), one O(3), and one O(7) atom. In the eighth Li site, Li(8) is bonded to one O(15), one O(17), one O(20), one O(23), one O(5), and one O(6) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  an edgeedge with one Li(6)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,  an edgeedge with one Mn(6)O6 octahedra, and  an edgeedge with one Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-19°. In the ninth Li site, Li(9) is bonded to one O(12), one O(13), one O(24), one O(4), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Mn(10)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and  an edgeedge with one Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-19°. In the tenth Li site, Li(10) is bonded in a 6-coordinate geometry to one O(15), one O(17), one O(20), one O(23), one O(5), and one O(6) atom. There are ten inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(11), one O(14), one O(22), one O(3), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with three equivalent Mn(8)O6 octahedra, and edges with three equivalent Mn(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-16°. In the second Mn site, Mn(2) is bonded to one O(12), one O(13), one O(16), one O(2), one O(21), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Mn(10)O6 octahedra. The corner-sharing octahedral tilt angles are 12°. In the third Mn site, Mn(3) is bonded to one O(1), one O(18), one O(19), one O(23), one O(5), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with three equivalent Li(6)O6 octahedra, and edges with three equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-14°. In the fourth Mn site, Mn(4) is bonded to one O(15), one O(17), one O(20), one O(24), one O(4), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with three equivalent Mn(5)O6 octahedra, and edges with three equivalent Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles are 19°. In the fifth Mn site, Mn(5) is bonded to one O(15), one O(17), one O(20), one O(24), one O(4), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with three equivalent Mn(4)O6 octahedra, and edges with three equivalent Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-17°. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(18), one O(19), one O(23), one O(5), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with three equivalent Li(6)O6 octahedra, and edges with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-14°. In the seventh Mn site, Mn(7) is bonded to one O(15), one O(17), one O(20), one O(24), one O(4), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with three equivalent Mn(4)O6 octahedra, and edges with three equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-18°. In the eighth Mn site, Mn(8) is bonded to one O(10), one O(11), one O(14), one O(22), one O(3), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-19°. In the ninth Mn site, Mn(9) is bonded to one O(10), one O(11), one O(14), one O(22), one O(3), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-17°. In the tenth Mn site, Mn(10) is bonded to one O(12), one O(13), one O(16), one O(2), one O(21), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(4), one Li(6), one Mn(3), and one Mn(6) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(18)Li3Mn2 square pyramid,  a cornercorner with one O(19)Li3Mn2 square pyramid,  a cornercorner with one O(23)Li3Mn2 square pyramid,  a cornercorner with one O(5)Li3Mn2 square pyramid,  a cornercorner with one O(6)Li3Mn2 square pyramid, corners with two equivalent O(11)Li2Mn3 square pyramids, corners with two equivalent O(14)Li2Mn3 square pyramids,  an edgeedge with one O(10)Li2Mn3 square pyramid,  an edgeedge with one O(23)Li3Mn2 square pyramid,  an edgeedge with one O(5)Li3Mn2 square pyramid,  an edgeedge with one O(6)Li3Mn2 square pyramid, edges with two equivalent O(18)Li3Mn2 square pyramids, and edges with two equivalent O(19)Li3Mn2 square pyramids. In the second O site, O(2) is bonded to one Li(2), one Li(5), one Li(7), one Mn(10), and one Mn(2) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(12)Li3Mn2 square pyramid,  a cornercorner with one O(13)Li3Mn2 square pyramid,  a cornercorner with one O(16)Li3Mn2 square pyramid,  a cornercorner with one O(21)Li3Mn2 square pyramid,  a cornercorner with one O(9)Li3Mn2 square pyramid, corners with two equivalent O(22)Li2Mn3 square pyramids, corners with two equivalent O(3)Li2Mn3 square pyramids,  an edgeedge with one O(7)Li2Mn3 square pyramid,  an edgeedge with one O(12)Li3Mn2 square pyramid,  an edgeedge with one O(13)Li3Mn2 square pyramid,  an edgeedge with one O(9)Li3Mn2 square pyramid, edges with two equivalent O(16)Li3Mn2 square pyramids, and edges with two equivalent O(21)Li3Mn2 square pyramids. In the third O site, O(3) is bonded to one Li(5), one Li(7), one Mn(1), one Mn(8), and one Mn(9) atom to form distorted OLi2Mn3 square pyramids that share  a cornercorner with one O(10)Li2Mn3 square pyramid,  a cornercorner with one O(11)Li2Mn3 square pyramid,  a cornercorner with one O(14)Li2Mn3 square pyramid,  a cornercorner with one O(22)Li2Mn3 square pyramid,  a cornercorner with one O(7)Li2Mn3 square pyramid, corners with two equivalent O(2)Li3Mn2 square pyramids, corners with two equivalent O(21)Li3Mn2 square pyramids,  an edgeedge with one O(10)Li2Mn3 square pyramid,  an edgeedge with one O(11)Li2Mn3 square pyramid,  an edgeedge with one O(14)Li2Mn3 square pyramid,  an edgeedge with one O(16)Li3Mn2 square pyramid, edges with two equivalent O(22)Li2Mn3 square pyramids, and edges with two equivalent O(7)Li2Mn3 square pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(9), one Mn(4), one Mn(5), and one Mn(7) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(15)Li2Mn3 square pyramid,  a cornercorner with one O(17)Li2Mn3 square pyramid,  a cornercorner with one O(20)Li2Mn3 square pyramid,  a cornercorner with one O(24)Li2Mn3 square pyramid,  a cornercorner with one O(8)Li2Mn3 square pyramid, corners with two equivalent O(12)Li3Mn2 square pyramids, corners with two equivalent O(13)Li3Mn2 square pyramids,  an edgeedge with one O(15)Li2Mn3 square pyramid,  an edgeedge with one O(17)Li2Mn3 square pyramid,  an edgeedge with one O(20)Li2Mn3 square pyramid,  an edgeedge with one O(9)Li3Mn2 square pyramid, edges with two equivalent O(24)Li2Mn3 square pyramids, and edges with two equivalent O(8)Li2Mn3 square pyramids. In the fifth O site, O(5) is bonded to one Li(10), one Li(6), one Li(8), one Mn(3), and one Mn(6) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(1)Li3Mn2 square pyramid,  a cornercorner with one O(18)Li3Mn2 square pyramid,  a cornercorner with one O(19)Li3Mn2 square pyramid,  a cornercorner with one O(23)Li3Mn2 square pyramid,  a cornercorner with one O(6)Li3Mn2 square pyramid, corners with two equivalent O(17)Li2Mn3 square pyramids, corners with two equivalent O(20)Li2Mn3 square pyramids,  an edgeedge with one O(15)Li2Mn3 square pyramid,  an edgeedge with one O(1)Li3Mn2 square pyramid,  an edgeedge with one O(18)Li3Mn2 square pyramid,  an edgeedge with one O(19)Li3Mn2 square pyramid, edges with two equivalent O(23)Li3Mn2 square pyramids, and edges with two equivalent O(6)Li3Mn2 square pyramids. In the sixth O site, O(6) is bonded to one Li(10), one Li(6), one Li(8), one Mn(3), and one Mn(6) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(1)Li3Mn2 square pyramid,  a cornercorner with one O(18)Li3Mn2 square pyramid,  a cornercorner with one O(19)Li3Mn2 square pyramid,  a cornercorner with one O(23)Li3Mn2 square pyramid,  a cornercorner with one O(5)Li3Mn2 square pyramid, corners with two equivalent O(15)Li2Mn3 square pyramids, corners with two equivalent O(17)Li2Mn3 square pyramids,  an edgeedge with one O(20)Li2Mn3 square pyramid,  an edgeedge with one O(1)Li3Mn2 square pyramid,  an edgeedge with one O(18)Li3Mn2 square pyramid,  an edgeedge with one O(19)Li3Mn2 square pyramid, edges with two equivalent O(23)Li3Mn2 square pyramids, and edges with two equivalent O(5)Li3Mn2 square pyramids. In the seventh O site, O(7) is bonded to one Li(5), one Li(7), one Mn(1), one Mn(8), and one Mn(9) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(10)Li2Mn3 square pyramid,  a cornercorner with one O(11)Li2Mn3 square pyramid,  a cornercorner with one O(14)Li2Mn3 square pyramid,  a cornercorner with one O(22)Li2Mn3 square pyramid,  a cornercorner with one O(3)Li2Mn3 square pyramid, corners with two equivalent O(16)Li3Mn2 square pyramids, corners with two equivalent O(21)Li3Mn2 square pyramids,  an edgeedge with one O(10)Li2Mn3 square pyramid,  an edgeedge with one O(11)Li2Mn3 square pyramid,  an edgeedge with one O(14)Li2Mn3 square pyramid,  an edgeedge with one O(2)Li3Mn2 square pyramid, edges with two equivalent O(22)Li2Mn3 square pyramids, and edges with two equivalent O(3)Li2Mn3 square pyramids. In the eighth O site, O(8) is bonded to one Li(1), one Li(9), one Mn(4), one Mn(5), and one Mn(7) atom to form distorted OLi2Mn3 square pyramids that share  a cornercorner with one O(15)Li2Mn3 square pyramid,  a cornercorner with one O(17)Li2Mn3 square pyramid,  a cornercorner with one O(20)Li2Mn3 square pyramid,  a cornercorner with one O(24)Li2Mn3 square pyramid,  a cornercorner with one O(4)Li2Mn3 square pyramid, corners with two equivalent O(13)Li3Mn2 square pyramids, corners with two equivalent O(9)Li3Mn2 square pyramids,  an edgeedge with one O(15)Li2Mn3 square pyramid,  an edgeedge with one O(17)Li2Mn3 square pyramid,  an edgeedge with one O(20)Li2Mn3 square pyramid,  an edgeedge with one O(12)Li3Mn2 square pyramid, edges with two equivalent O(24)Li2Mn3 square pyramids, and edges with two equivalent O(4)Li2Mn3 square pyramids. In the ninth O site, O(9) is bonded to one Li(1), one Li(2), one Li(9), one Mn(10), and one Mn(2) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(12)Li3Mn2 square pyramid,  a cornercorner with one O(13)Li3Mn2 square pyramid,  a cornercorner with one O(16)Li3Mn2 square pyramid,  a cornercorner with one O(2)Li3Mn2 square pyramid,  a cornercorner with one O(21)Li3Mn2 square pyramid, corners with two equivalent O(24)Li2Mn3 square pyramids, corners with two equivalent O(8)Li2Mn3 square pyramids,  an edgeedge with one O(4)Li2Mn3 square pyramid,  an edgeedge with one O(16)Li3Mn2 square pyramid,  an edgeedge with one O(2)Li3Mn2 square pyramid,  an edgeedge with one O(21)Li3Mn2 square pyramid, edges with two equivalent O(12)Li3Mn2 square pyramids, and edges with two equivalent O(13)Li3Mn2 square pyramids. In the tenth O site, O(10) is bonded to one Li(3), one Li(4), one Mn(1), one Mn(8), and one Mn(9) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(11)Li2Mn3 square pyramid,  a cornercorner with one O(14)Li2Mn3 square pyramid,  a cornercorner with one O(22)Li2Mn3 square pyramid,  a cornercorner with one O(3)Li2Mn3 square pyramid,  a cornercorner with one O(7)Li2Mn3 square pyramid, corners with two equivalent O(18)Li3Mn2 square pyramids, corners with two equivalent O(19)Li3Mn2 square pyramids,  an edgeedge with one O(22)Li2Mn3 square pyramid,  an edgeedge with one O(3)Li2Mn3 square pyramid,  an edgeedge with one O(7)Li2Mn3 square pyramid,  an edgeedge with one O(1)Li3Mn2 square pyramid, edges with two equivalent O(11)Li2Mn3 square pyramids, and edges with two equivalent O(14)Li2Mn3 square pyramids. In the eleventh O site, O(11) is bonded to one Li(3), one Li(4), one Mn(1), one Mn(8), and one Mn(9) atom to form distorted OLi2Mn3 square pyramids that share  a cornercorner with one O(10)Li2Mn3 square pyramid,  a cornercorner with one O(14)Li2Mn3 square pyramid,  a cornercorner with one O(22)Li2Mn3 square pyramid,  a cornercorner with one O(3)Li2Mn3 square pyramid,  a cornercorner with one O(7)Li2Mn3 square pyramid, corners with two equivalent O(1)Li3Mn2 square pyramids, corners with two equivalent O(19)Li3Mn2 square pyramids,  an edgeedge with one O(22)Li2Mn3 square pyramid,  an edgeedge with one O(3)Li2Mn3 square pyramid,  an edgeedge with one O(7)Li2Mn3 square pyramid,  an edgeedge with one O(18)Li3Mn2 square pyramid, edges with two equivalent O(10)Li2Mn3 square pyramids, and edges with two equivalent O(14)Li2Mn3 square pyramids. In the twelfth O site, O(12) is bonded to one Li(1), one Li(2), one Li(9), one Mn(10), and one Mn(2) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(13)Li3Mn2 square pyramid,  a cornercorner with one O(16)Li3Mn2 square pyramid,  a cornercorner with one O(2)Li3Mn2 square pyramid,  a cornercorner with one O(21)Li3Mn2 square pyramid,  a cornercorner with one O(9)Li3Mn2 square pyramid, corners with two equivalent O(24)Li2Mn3 square pyramids, corners with two equivalent O(4)Li2Mn3 square pyramids,  an edgeedge with one O(8)Li2Mn3 square pyramid,  an edgeedge with one O(16)Li3Mn2 square pyramid,  an edgeedge with one O(2)Li3Mn2 square pyramid,  an edgeedge with one O(21)Li3Mn2 square pyramid, edges with two equivalent O(13)Li3Mn2 square pyramids, and edges with two equivalent O(9)Li3Mn2 square pyramids. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(2), one Li(9), one Mn(10), and one Mn(2) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(12)Li3Mn2 square pyramid,  a cornercorner with one O(16)Li3Mn2 square pyramid,  a cornercorner with one O(2)Li3Mn2 square pyramid,  a cornercorner with one O(21)Li3Mn2 square pyramid,  a cornercorner with one O(9)Li3Mn2 square pyramid, corners with two equivalent O(4)Li2Mn3 square pyramids, corners with two equivalent O(8)Li2Mn3 square pyramids,  an edgeedge with one O(24)Li2Mn3 square pyramid,  an edgeedge with one O(16)Li3Mn2 square pyramid,  an edgeedge with one O(2)Li3Mn2 square pyramid,  an edgeedge with one O(21)Li3Mn2 square pyramid, edges with two equivalent O(12)Li3Mn2 square pyramids, and edges with two equivalent O(9)Li3Mn2 square pyramids. In the fourteenth O site, O(14) is bonded to one Li(3), one Li(4), one Mn(1), one Mn(8), and one Mn(9) atom to form distorted OLi2Mn3 square pyramids that share  a cornercorner with one O(10)Li2Mn3 square pyramid,  a cornercorner with one O(11)Li2Mn3 square pyramid,  a cornercorner with one O(22)Li2Mn3 square pyramid,  a cornercorner with one O(3)Li2Mn3 square pyramid,  a cornercorner with one O(7)Li2Mn3 square pyramid, corners with two equivalent O(1)Li3Mn2 square pyramids, corners with two equivalent O(18)Li3Mn2 square pyramids,  an edgeedge with one O(22)Li2Mn3 square pyramid,  an edgeedge with one O(3)Li2Mn3 square pyramid,  an edgeedge with one O(7)Li2Mn3 square pyramid,  an edgeedge with one O(19)Li3Mn2 square pyramid, edges with two equivalent O(10)Li2Mn3 square pyramids, and edges with two equivalent O(11)Li2Mn3 square pyramids. In the fifteenth O site, O(15) is bonded to one Li(10), one Li(8), one Mn(4), one Mn(5), and one Mn(7) atom to form distorted OLi2Mn3 square pyramids that share  a cornercorner with one O(17)Li2Mn3 square pyramid,  a cornercorner with one O(20)Li2Mn3 square pyramid,  a cornercorner with one O(24)Li2Mn3 square pyramid,  a cornercorner with one O(4)Li2Mn3 square pyramid,  a cornercorner with one O(8)Li2Mn3 square pyramid, corners with two equivalent O(23)Li3Mn2 square pyramids, corners with two equivalent O(6)Li3Mn2 square pyramids,  an edgeedge with one O(24)Li2Mn3 square pyramid,  an edgeedge with one O(4)Li2Mn3 square pyramid,  an edgeedge with one O(8)Li2Mn3 square pyramid,  an edgeedge with one O(5)Li3Mn2 square pyramid, edges with two equivalent O(17)Li2Mn3 square pyramids, and edges with two equivalent O(20)Li2Mn3 square pyramids. In the sixteenth O site, O(16) is bonded to one Li(2), one Li(5), one Li(7), one Mn(10), and one Mn(2) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(12)Li3Mn2 square pyramid,  a cornercorner with one O(13)Li3Mn2 square pyramid,  a cornercorner with one O(2)Li3Mn2 square pyramid,  a cornercorner with one O(21)Li3Mn2 square pyramid,  a cornercorner with one O(9)Li3Mn2 square pyramid, corners with two equivalent O(22)Li2Mn3 square pyramids, corners with two equivalent O(7)Li2Mn3 square pyramids,  an edgeedge with one O(3)Li2Mn3 square pyramid,  an edgeedge with one O(12)Li3Mn2 square pyramid,  an edgeedge with one O(13)Li3Mn2 square pyramid,  an edgeedge with one O(9)Li3Mn2 square pyramid, edges with two equivalent O(2)Li3Mn2 square pyramids, and edges with two equivalent O(21)Li3Mn2 square pyramids. In the seventeenth O site, O(17) is bonded to one Li(10), one Li(8), one Mn(4), one Mn(5), and one Mn(7) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(15)Li2Mn3 square pyramid,  a cornercorner with one O(20)Li2Mn3 square pyramid,  a cornercorner with one O(24)Li2Mn3 square pyramid,  a cornercorner with one O(4)Li2Mn3 square pyramid,  a cornercorner with one O(8)Li2Mn3 square pyramid, corners with two equivalent O(5)Li3Mn2 square pyramids, corners with two equivalent O(6)Li3Mn2 square pyramids,  an edgeedge with one O(24)Li2Mn3 square pyramid,  an edgeedge with one O(4)Li2Mn3 square pyramid,  an edgeedge with one O(8)Li2Mn3 square pyramid,  an edgeedge with one O(23)Li3Mn2 square pyramid, edges with two equivalent O(15)Li2Mn3 square pyramids, and edges with two equivalent O(20)Li2Mn3 square pyramids. In the eighteenth O site, O(18) is bonded to one Li(3), one Li(4), one Li(6), one Mn(3), and one Mn(6) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(1)Li3Mn2 square pyramid,  a cornercorner with one O(19)Li3Mn2 square pyramid,  a cornercorner with one O(23)Li3Mn2 square pyramid,  a cornercorner with one O(5)Li3Mn2 square pyramid,  a cornercorner with one O(6)Li3Mn2 square pyramid, corners with two equivalent O(10)Li2Mn3 square pyramids, corners with two equivalent O(14)Li2Mn3 square pyramids,  an edgeedge with one O(11)Li2Mn3 square pyramid,  an edgeedge with one O(23)Li3Mn2 square pyramid,  an edgeedge with one O(5)Li3Mn2 square pyramid,  an edgeedge with one O(6)Li3Mn2 square pyramid, edges with two equivalent O(1)Li3Mn2 square pyramids, and edges with two equivalent O(19)Li3Mn2 square pyramids. In the nineteenth O site, O(19) is bonded to one Li(3), one Li(4), one Li(6), one Mn(3), and one Mn(6) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(1)Li3Mn2 square pyramid,  a cornercorner with one O(18)Li3Mn2 square pyramid,  a cornercorner with one O(23)Li3Mn2 square pyramid,  a cornercorner with one O(5)Li3Mn2 square pyramid,  a cornercorner with one O(6)Li3Mn2 square pyramid, corners with two equivalent O(10)Li2Mn3 square pyramids, corners with two equivalent O(11)Li2Mn3 square pyramids,  an edgeedge with one O(14)Li2Mn3 square pyramid,  an edgeedge with one O(23)Li3Mn2 square pyramid,  an edgeedge with one O(5)Li3Mn2 square pyramid,  an edgeedge with one O(6)Li3Mn2 square pyramid, edges with two equivalent O(1)Li3Mn2 square pyramids, and edges with two equivalent O(18)Li3Mn2 square pyramids. In the twentieth O site, O(20) is bonded to one Li(10), one Li(8), one Mn(4), one Mn(5), and one Mn(7) atom to form distorted OLi2Mn3 square pyramids that share  a cornercorner with one O(15)Li2Mn3 square pyramid,  a cornercorner with one O(17)Li2Mn3 square pyramid,  a cornercorner with one O(24)Li2Mn3 square pyramid,  a cornercorner with one O(4)Li2Mn3 square pyramid,  a cornercorner with one O(8)Li2Mn3 square pyramid, corners with two equivalent O(23)Li3Mn2 square pyramids, corners with two equivalent O(5)Li3Mn2 square pyramids,  an edgeedge with one O(24)Li2Mn3 square pyramid,  an edgeedge with one O(4)Li2Mn3 square pyramid,  an edgeedge with one O(8)Li2Mn3 square pyramid,  an edgeedge with one O(6)Li3Mn2 square pyramid, edges with two equivalent O(15)Li2Mn3 square pyramids, and edges with two equivalent O(17)Li2Mn3 square pyramids. In the twenty-first O site, O(21) is bonded to one Li(2), one Li(5), one Li(7), one Mn(10), and one Mn(2) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(12)Li3Mn2 square pyramid,  a cornercorner with one O(13)Li3Mn2 square pyramid,  a cornercorner with one O(16)Li3Mn2 square pyramid,  a cornercorner with one O(2)Li3Mn2 square pyramid,  a cornercorner with one O(9)Li3Mn2 square pyramid, corners with two equivalent O(3)Li2Mn3 square pyramids, corners with two equivalent O(7)Li2Mn3 square pyramids,  an edgeedge with one O(22)Li2Mn3 square pyramid,  an edgeedge with one O(12)Li3Mn2 square pyramid,  an edgeedge with one O(13)Li3Mn2 square pyramid,  an edgeedge with one O(9)Li3Mn2 square pyramid, edges with two equivalent O(16)Li3Mn2 square pyramids, and edges with two equivalent O(2)Li3Mn2 square pyramids. In the twenty-second O site, O(22) is bonded to one Li(5), one Li(7), one Mn(1), one Mn(8), and one Mn(9) atom to form distorted OLi2Mn3 square pyramids that share  a cornercorner with one O(10)Li2Mn3 square pyramid,  a cornercorner with one O(11)Li2Mn3 square pyramid,  a cornercorner with one O(14)Li2Mn3 square pyramid,  a cornercorner with one O(3)Li2Mn3 square pyramid,  a cornercorner with one O(7)Li2Mn3 square pyramid, corners with two equivalent O(16)Li3Mn2 square pyramids, corners with two equivalent O(2)Li3Mn2 square pyramids,  an edgeedge with one O(10)Li2Mn3 square pyramid,  an edgeedge with one O(11)Li2Mn3 square pyramid,  an edgeedge with one O(14)Li2Mn3 square pyramid,  an edgeedge with one O(21)Li3Mn2 square pyramid, edges with two equivalent O(3)Li2Mn3 square pyramids, and edges with two equivalent O(7)Li2Mn3 square pyramids. In the twenty-third O site, O(23) is bonded to one Li(10), one Li(6), one Li(8), one Mn(3), and one Mn(6) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(1)Li3Mn2 square pyramid,  a cornercorner with one O(18)Li3Mn2 square pyramid,  a cornercorner with one O(19)Li3Mn2 square pyramid,  a cornercorner with one O(5)Li3Mn2 square pyramid,  a cornercorner with one O(6)Li3Mn2 square pyramid, corners with two equivalent O(15)Li2Mn3 square pyramids, corners with two equivalent O(20)Li2Mn3 square pyramids,  an edgeedge with one O(17)Li2Mn3 square pyramid,  an edgeedge with one O(1)Li3Mn2 square pyramid,  an edgeedge with one O(18)Li3Mn2 square pyramid,  an edgeedge with one O(19)Li3Mn2 square pyramid, edges with two equivalent O(5)Li3Mn2 square pyramids, and edges with two equivalent O(6)Li3Mn2 square pyramids. In the twenty-fourth O site, O(24) is bonded to one Li(1), one Li(9), one Mn(4), one Mn(5), and one Mn(7) atom to form distorted OLi2Mn3 square pyramids that share  a cornercorner with one O(15)Li2Mn3 square pyramid,  a cornercorner with one O(17)Li2Mn3 square pyramid,  a cornercorner with one O(20)Li2Mn3 square pyramid,  a cornercorner with one O(4)Li2Mn3 square pyramid,  a cornercorner with one O(8)Li2Mn3 square pyramid, corners with two equivalent O(12)Li3Mn2 square pyramids, corners with two equivalent O(9)Li3Mn2 square pyramids,  an edgeedge with one O(15)Li2Mn3 square pyramid,  an edgeedge with one O(17)Li2Mn3 square pyramid,  an edgeedge with one O(20)Li2Mn3 square pyramid,  an edgeedge with one O(13)Li3Mn2 square pyramid, edges with two equivalent O(4)Li2Mn3 square pyramids, and edges with two equivalent O(8)Li2Mn3 square pyramids. is represented by the CIF file [CIF]
data_Li5Mn5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.030
_cell_length_b   5.051
_cell_length_c   19.758
_cell_angle_alpha   92.413
_cell_angle_beta   93.452
_cell_angle_gamma   118.711
_symmetry_Int_Tables_number   1
_cell_volume   438.010
_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  0.078  0.901  0.265  1.0
  Li  Li1  1  0.128  0.622  0.375  1.0
  Li  Li2  1  0.275  0.779  0.764  1.0
  Li  Li3  1  0.582  0.395  0.766  1.0
  Li  Li4  1  0.472  0.975  0.486  1.0
  Li  Li5  1  0.621  0.126  0.875  1.0
  Li  Li6  1  0.854  0.666  0.484  1.0
  Li  Li7  1  0.969  0.475  0.986  1.0
  Li  Li8  1  0.773  0.282  0.264  1.0
  Li  Li9  1  0.667  0.858  0.985  1.0
  Mn  Mn10  1  0.212  0.038  0.625  1.0
  Mn  Mn11  1  0.451  0.300  0.375  1.0
  Mn  Mn12  1  0.959  0.801  0.875  1.0
  Mn  Mn13  1  0.378  0.872  0.125  1.0
  Mn  Mn14  1  0.711  0.537  0.124  1.0
  Mn  Mn15  1  0.286  0.453  0.875  1.0
  Mn  Mn16  1  0.045  0.208  0.125  1.0
  Mn  Mn17  1  0.879  0.370  0.625  1.0
  Mn  Mn18  1  0.543  0.707  0.625  1.0
  Mn  Mn19  1  0.788  0.962  0.375  1.0
  O  O20  1  0.258  0.107  0.822  1.0
  O  O21  1  0.142  0.998  0.428  1.0
  O  O22  1  0.524  0.353  0.575  1.0
  O  O23  1  0.027  0.527  0.181  1.0
  O  O24  1  0.655  0.517  0.929  1.0
  O  O25  1  0.281  0.775  0.930  1.0
  O  O26  1  0.222  0.727  0.569  1.0
  O  O27  1  0.401  0.222  0.175  1.0
  O  O28  1  0.750  0.610  0.322  1.0
  O  O29  1  0.525  0.024  0.681  1.0
  O  O30  1  0.901  0.725  0.675  1.0
  O  O31  1  0.461  0.982  0.320  1.0
  O  O32  1  0.088  0.244  0.321  1.0
  O  O33  1  0.242  0.397  0.675  1.0
  O  O34  1  0.008  0.848  0.074  1.0
  O  O35  1  0.771  0.286  0.430  1.0
  O  O36  1  0.728  0.218  0.069  1.0
  O  O37  1  0.965  0.479  0.820  1.0
  O  O38  1  0.590  0.736  0.821  1.0
  O  O39  1  0.355  0.524  0.075  1.0
  O  O40  1  0.507  0.659  0.429  1.0
  O  O41  1  0.849  0.010  0.575  1.0
  O  O42  1  0.987  0.147  0.928  1.0
  O  O43  1  0.749  0.897  0.176  1.0
[/CIF]
.
The material 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 in a 6-coordinate geometry to one O(12), one O(13), one O(24), one O(4), one O(8), and one O(9) atom. In the second Li site, Li(2) is bonded to one O(12), one O(13), one O(16), one O(2), one O(21), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with three equivalent Mn(10)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(11), one O(14), one O(18), and one O(19) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  a cornercorner with one Mn(9)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, and  an edgeedge with one Mn(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-19°. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(14), one O(18), and one O(19) atom. In the fifth Li site, Li(5) is bonded to one O(16), one O(2), one O(21), one O(22), one O(3), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(10)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  a cornercorner with one Mn(9)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, and  an edgeedge with one Mn(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-18°. In the sixth Li site, Li(6) is bonded to one O(1), one O(18), one O(19), one O(23), one O(5), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with three equivalent Mn(3)O6 octahedra, and edges with three equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the seventh Li site, Li(7) is bonded in a 6-coordinate geometry to one O(16), one O(2), one O(21), one O(22), one O(3), and one O(7) atom. In the eighth Li site, Li(8) is bonded to one O(15), one O(17), one O(20), one O(23), one O(5), and one O(6) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(6)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  an edgeedge with one Li(6)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,  an edgeedge with one Mn(6)O6 octahedra, and  an edgeedge with one Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-19°. In the ninth Li site, Li(9) is bonded to one O(12), one O(13), one O(24), one O(4), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Mn(10)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and  an edgeedge with one Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-19°. In the tenth Li site, Li(10) is bonded in a 6-coordinate geometry to one O(15), one O(17), one O(20), one O(23), one O(5), and one O(6) atom. There are ten inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(11), one O(14), one O(22), one O(3), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with three equivalent Mn(8)O6 octahedra, and edges with three equivalent Mn(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-16°. In the second Mn site, Mn(2) is bonded to one O(12), one O(13), one O(16), one O(2), one O(21), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Mn(10)O6 octahedra. The corner-sharing octahedral tilt angles are 12°. In the third Mn site, Mn(3) is bonded to one O(1), one O(18), one O(19), one O(23), one O(5), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with three equivalent Li(6)O6 octahedra, and edges with three equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-14°. In the fourth Mn site, Mn(4) is bonded to one O(15), one O(17), one O(20), one O(24), one O(4), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with three equivalent Mn(5)O6 octahedra, and edges with three equivalent Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles are 19°. In the fifth Mn site, Mn(5) is bonded to one O(15), one O(17), one O(20), one O(24), one O(4), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with three equivalent Mn(4)O6 octahedra, and edges with three equivalent Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-17°. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(18), one O(19), one O(23), one O(5), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(8)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra, edges with three equivalent Li(6)O6 octahedra, and edges with three equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-14°. In the seventh Mn site, Mn(7) is bonded to one O(15), one O(17), one O(20), one O(24), one O(4), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Li(8)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with three equivalent Mn(4)O6 octahedra, and edges with three equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-18°. In the eighth Mn site, Mn(8) is bonded to one O(10), one O(11), one O(14), one O(22), one O(3), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-19°. In the ninth Mn site, Mn(9) is bonded to one O(10), one O(11), one O(14), one O(22), one O(3), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, and edges with three equivalent Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-17°. In the tenth Mn site, Mn(10) is bonded to one O(12), one O(13), one O(16), one O(2), one O(21), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(9)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(4), one Li(6), one Mn(3), and one Mn(6) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(18)Li3Mn2 square pyramid,  a cornercorner with one O(19)Li3Mn2 square pyramid,  a cornercorner with one O(23)Li3Mn2 square pyramid,  a cornercorner with one O(5)Li3Mn2 square pyramid,  a cornercorner with one O(6)Li3Mn2 square pyramid, corners with two equivalent O(11)Li2Mn3 square pyramids, corners with two equivalent O(14)Li2Mn3 square pyramids,  an edgeedge with one O(10)Li2Mn3 square pyramid,  an edgeedge with one O(23)Li3Mn2 square pyramid,  an edgeedge with one O(5)Li3Mn2 square pyramid,  an edgeedge with one O(6)Li3Mn2 square pyramid, edges with two equivalent O(18)Li3Mn2 square pyramids, and edges with two equivalent O(19)Li3Mn2 square pyramids. In the second O site, O(2) is bonded to one Li(2), one Li(5), one Li(7), one Mn(10), and one Mn(2) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(12)Li3Mn2 square pyramid,  a cornercorner with one O(13)Li3Mn2 square pyramid,  a cornercorner with one O(16)Li3Mn2 square pyramid,  a cornercorner with one O(21)Li3Mn2 square pyramid,  a cornercorner with one O(9)Li3Mn2 square pyramid, corners with two equivalent O(22)Li2Mn3 square pyramids, corners with two equivalent O(3)Li2Mn3 square pyramids,  an edgeedge with one O(7)Li2Mn3 square pyramid,  an edgeedge with one O(12)Li3Mn2 square pyramid,  an edgeedge with one O(13)Li3Mn2 square pyramid,  an edgeedge with one O(9)Li3Mn2 square pyramid, edges with two equivalent O(16)Li3Mn2 square pyramids, and edges with two equivalent O(21)Li3Mn2 square pyramids. In the third O site, O(3) is bonded to one Li(5), one Li(7), one Mn(1), one Mn(8), and one Mn(9) atom to form distorted OLi2Mn3 square pyramids that share  a cornercorner with one O(10)Li2Mn3 square pyramid,  a cornercorner with one O(11)Li2Mn3 square pyramid,  a cornercorner with one O(14)Li2Mn3 square pyramid,  a cornercorner with one O(22)Li2Mn3 square pyramid,  a cornercorner with one O(7)Li2Mn3 square pyramid, corners with two equivalent O(2)Li3Mn2 square pyramids, corners with two equivalent O(21)Li3Mn2 square pyramids,  an edgeedge with one O(10)Li2Mn3 square pyramid,  an edgeedge with one O(11)Li2Mn3 square pyramid,  an edgeedge with one O(14)Li2Mn3 square pyramid,  an edgeedge with one O(16)Li3Mn2 square pyramid, edges with two equivalent O(22)Li2Mn3 square pyramids, and edges with two equivalent O(7)Li2Mn3 square pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(9), one Mn(4), one Mn(5), and one Mn(7) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(15)Li2Mn3 square pyramid,  a cornercorner with one O(17)Li2Mn3 square pyramid,  a cornercorner with one O(20)Li2Mn3 square pyramid,  a cornercorner with one O(24)Li2Mn3 square pyramid,  a cornercorner with one O(8)Li2Mn3 square pyramid, corners with two equivalent O(12)Li3Mn2 square pyramids, corners with two equivalent O(13)Li3Mn2 square pyramids,  an edgeedge with one O(15)Li2Mn3 square pyramid,  an edgeedge with one O(17)Li2Mn3 square pyramid,  an edgeedge with one O(20)Li2Mn3 square pyramid,  an edgeedge with one O(9)Li3Mn2 square pyramid, edges with two equivalent O(24)Li2Mn3 square pyramids, and edges with two equivalent O(8)Li2Mn3 square pyramids. In the fifth O site, O(5) is bonded to one Li(10), one Li(6), one Li(8), one Mn(3), and one Mn(6) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(1)Li3Mn2 square pyramid,  a cornercorner with one O(18)Li3Mn2 square pyramid,  a cornercorner with one O(19)Li3Mn2 square pyramid,  a cornercorner with one O(23)Li3Mn2 square pyramid,  a cornercorner with one O(6)Li3Mn2 square pyramid, corners with two equivalent O(17)Li2Mn3 square pyramids, corners with two equivalent O(20)Li2Mn3 square pyramids,  an edgeedge with one O(15)Li2Mn3 square pyramid,  an edgeedge with one O(1)Li3Mn2 square pyramid,  an edgeedge with one O(18)Li3Mn2 square pyramid,  an edgeedge with one O(19)Li3Mn2 square pyramid, edges with two equivalent O(23)Li3Mn2 square pyramids, and edges with two equivalent O(6)Li3Mn2 square pyramids. In the sixth O site, O(6) is bonded to one Li(10), one Li(6), one Li(8), one Mn(3), and one Mn(6) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(1)Li3Mn2 square pyramid,  a cornercorner with one O(18)Li3Mn2 square pyramid,  a cornercorner with one O(19)Li3Mn2 square pyramid,  a cornercorner with one O(23)Li3Mn2 square pyramid,  a cornercorner with one O(5)Li3Mn2 square pyramid, corners with two equivalent O(15)Li2Mn3 square pyramids, corners with two equivalent O(17)Li2Mn3 square pyramids,  an edgeedge with one O(20)Li2Mn3 square pyramid,  an edgeedge with one O(1)Li3Mn2 square pyramid,  an edgeedge with one O(18)Li3Mn2 square pyramid,  an edgeedge with one O(19)Li3Mn2 square pyramid, edges with two equivalent O(23)Li3Mn2 square pyramids, and edges with two equivalent O(5)Li3Mn2 square pyramids. In the seventh O site, O(7) is bonded to one Li(5), one Li(7), one Mn(1), one Mn(8), and one Mn(9) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(10)Li2Mn3 square pyramid,  a cornercorner with one O(11)Li2Mn3 square pyramid,  a cornercorner with one O(14)Li2Mn3 square pyramid,  a cornercorner with one O(22)Li2Mn3 square pyramid,  a cornercorner with one O(3)Li2Mn3 square pyramid, corners with two equivalent O(16)Li3Mn2 square pyramids, corners with two equivalent O(21)Li3Mn2 square pyramids,  an edgeedge with one O(10)Li2Mn3 square pyramid,  an edgeedge with one O(11)Li2Mn3 square pyramid,  an edgeedge with one O(14)Li2Mn3 square pyramid,  an edgeedge with one O(2)Li3Mn2 square pyramid, edges with two equivalent O(22)Li2Mn3 square pyramids, and edges with two equivalent O(3)Li2Mn3 square pyramids. In the eighth O site, O(8) is bonded to one Li(1), one Li(9), one Mn(4), one Mn(5), and one Mn(7) atom to form distorted OLi2Mn3 square pyramids that share  a cornercorner with one O(15)Li2Mn3 square pyramid,  a cornercorner with one O(17)Li2Mn3 square pyramid,  a cornercorner with one O(20)Li2Mn3 square pyramid,  a cornercorner with one O(24)Li2Mn3 square pyramid,  a cornercorner with one O(4)Li2Mn3 square pyramid, corners with two equivalent O(13)Li3Mn2 square pyramids, corners with two equivalent O(9)Li3Mn2 square pyramids,  an edgeedge with one O(15)Li2Mn3 square pyramid,  an edgeedge with one O(17)Li2Mn3 square pyramid,  an edgeedge with one O(20)Li2Mn3 square pyramid,  an edgeedge with one O(12)Li3Mn2 square pyramid, edges with two equivalent O(24)Li2Mn3 square pyramids, and edges with two equivalent O(4)Li2Mn3 square pyramids. In the ninth O site, O(9) is bonded to one Li(1), one Li(2), one Li(9), one Mn(10), and one Mn(2) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(12)Li3Mn2 square pyramid,  a cornercorner with one O(13)Li3Mn2 square pyramid,  a cornercorner with one O(16)Li3Mn2 square pyramid,  a cornercorner with one O(2)Li3Mn2 square pyramid,  a cornercorner with one O(21)Li3Mn2 square pyramid, corners with two equivalent O(24)Li2Mn3 square pyramids, corners with two equivalent O(8)Li2Mn3 square pyramids,  an edgeedge with one O(4)Li2Mn3 square pyramid,  an edgeedge with one O(16)Li3Mn2 square pyramid,  an edgeedge with one O(2)Li3Mn2 square pyramid,  an edgeedge with one O(21)Li3Mn2 square pyramid, edges with two equivalent O(12)Li3Mn2 square pyramids, and edges with two equivalent O(13)Li3Mn2 square pyramids. In the tenth O site, O(10) is bonded to one Li(3), one Li(4), one Mn(1), one Mn(8), and one Mn(9) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(11)Li2Mn3 square pyramid,  a cornercorner with one O(14)Li2Mn3 square pyramid,  a cornercorner with one O(22)Li2Mn3 square pyramid,  a cornercorner with one O(3)Li2Mn3 square pyramid,  a cornercorner with one O(7)Li2Mn3 square pyramid, corners with two equivalent O(18)Li3Mn2 square pyramids, corners with two equivalent O(19)Li3Mn2 square pyramids,  an edgeedge with one O(22)Li2Mn3 square pyramid,  an edgeedge with one O(3)Li2Mn3 square pyramid,  an edgeedge with one O(7)Li2Mn3 square pyramid,  an edgeedge with one O(1)Li3Mn2 square pyramid, edges with two equivalent O(11)Li2Mn3 square pyramids, and edges with two equivalent O(14)Li2Mn3 square pyramids. In the eleventh O site, O(11) is bonded to one Li(3), one Li(4), one Mn(1), one Mn(8), and one Mn(9) atom to form distorted OLi2Mn3 square pyramids that share  a cornercorner with one O(10)Li2Mn3 square pyramid,  a cornercorner with one O(14)Li2Mn3 square pyramid,  a cornercorner with one O(22)Li2Mn3 square pyramid,  a cornercorner with one O(3)Li2Mn3 square pyramid,  a cornercorner with one O(7)Li2Mn3 square pyramid, corners with two equivalent O(1)Li3Mn2 square pyramids, corners with two equivalent O(19)Li3Mn2 square pyramids,  an edgeedge with one O(22)Li2Mn3 square pyramid,  an edgeedge with one O(3)Li2Mn3 square pyramid,  an edgeedge with one O(7)Li2Mn3 square pyramid,  an edgeedge with one O(18)Li3Mn2 square pyramid, edges with two equivalent O(10)Li2Mn3 square pyramids, and edges with two equivalent O(14)Li2Mn3 square pyramids. In the twelfth O site, O(12) is bonded to one Li(1), one Li(2), one Li(9), one Mn(10), and one Mn(2) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(13)Li3Mn2 square pyramid,  a cornercorner with one O(16)Li3Mn2 square pyramid,  a cornercorner with one O(2)Li3Mn2 square pyramid,  a cornercorner with one O(21)Li3Mn2 square pyramid,  a cornercorner with one O(9)Li3Mn2 square pyramid, corners with two equivalent O(24)Li2Mn3 square pyramids, corners with two equivalent O(4)Li2Mn3 square pyramids,  an edgeedge with one O(8)Li2Mn3 square pyramid,  an edgeedge with one O(16)Li3Mn2 square pyramid,  an edgeedge with one O(2)Li3Mn2 square pyramid,  an edgeedge with one O(21)Li3Mn2 square pyramid, edges with two equivalent O(13)Li3Mn2 square pyramids, and edges with two equivalent O(9)Li3Mn2 square pyramids. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(2), one Li(9), one Mn(10), and one Mn(2) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(12)Li3Mn2 square pyramid,  a cornercorner with one O(16)Li3Mn2 square pyramid,  a cornercorner with one O(2)Li3Mn2 square pyramid,  a cornercorner with one O(21)Li3Mn2 square pyramid,  a cornercorner with one O(9)Li3Mn2 square pyramid, corners with two equivalent O(4)Li2Mn3 square pyramids, corners with two equivalent O(8)Li2Mn3 square pyramids,  an edgeedge with one O(24)Li2Mn3 square pyramid,  an edgeedge with one O(16)Li3Mn2 square pyramid,  an edgeedge with one O(2)Li3Mn2 square pyramid,  an edgeedge with one O(21)Li3Mn2 square pyramid, edges with two equivalent O(12)Li3Mn2 square pyramids, and edges with two equivalent O(9)Li3Mn2 square pyramids. In the fourteenth O site, O(14) is bonded to one Li(3), one Li(4), one Mn(1), one Mn(8), and one Mn(9) atom to form distorted OLi2Mn3 square pyramids that share  a cornercorner with one O(10)Li2Mn3 square pyramid,  a cornercorner with one O(11)Li2Mn3 square pyramid,  a cornercorner with one O(22)Li2Mn3 square pyramid,  a cornercorner with one O(3)Li2Mn3 square pyramid,  a cornercorner with one O(7)Li2Mn3 square pyramid, corners with two equivalent O(1)Li3Mn2 square pyramids, corners with two equivalent O(18)Li3Mn2 square pyramids,  an edgeedge with one O(22)Li2Mn3 square pyramid,  an edgeedge with one O(3)Li2Mn3 square pyramid,  an edgeedge with one O(7)Li2Mn3 square pyramid,  an edgeedge with one O(19)Li3Mn2 square pyramid, edges with two equivalent O(10)Li2Mn3 square pyramids, and edges with two equivalent O(11)Li2Mn3 square pyramids. In the fifteenth O site, O(15) is bonded to one Li(10), one Li(8), one Mn(4), one Mn(5), and one Mn(7) atom to form distorted OLi2Mn3 square pyramids that share  a cornercorner with one O(17)Li2Mn3 square pyramid,  a cornercorner with one O(20)Li2Mn3 square pyramid,  a cornercorner with one O(24)Li2Mn3 square pyramid,  a cornercorner with one O(4)Li2Mn3 square pyramid,  a cornercorner with one O(8)Li2Mn3 square pyramid, corners with two equivalent O(23)Li3Mn2 square pyramids, corners with two equivalent O(6)Li3Mn2 square pyramids,  an edgeedge with one O(24)Li2Mn3 square pyramid,  an edgeedge with one O(4)Li2Mn3 square pyramid,  an edgeedge with one O(8)Li2Mn3 square pyramid,  an edgeedge with one O(5)Li3Mn2 square pyramid, edges with two equivalent O(17)Li2Mn3 square pyramids, and edges with two equivalent O(20)Li2Mn3 square pyramids. In the sixteenth O site, O(16) is bonded to one Li(2), one Li(5), one Li(7), one Mn(10), and one Mn(2) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(12)Li3Mn2 square pyramid,  a cornercorner with one O(13)Li3Mn2 square pyramid,  a cornercorner with one O(2)Li3Mn2 square pyramid,  a cornercorner with one O(21)Li3Mn2 square pyramid,  a cornercorner with one O(9)Li3Mn2 square pyramid, corners with two equivalent O(22)Li2Mn3 square pyramids, corners with two equivalent O(7)Li2Mn3 square pyramids,  an edgeedge with one O(3)Li2Mn3 square pyramid,  an edgeedge with one O(12)Li3Mn2 square pyramid,  an edgeedge with one O(13)Li3Mn2 square pyramid,  an edgeedge with one O(9)Li3Mn2 square pyramid, edges with two equivalent O(2)Li3Mn2 square pyramids, and edges with two equivalent O(21)Li3Mn2 square pyramids. In the seventeenth O site, O(17) is bonded to one Li(10), one Li(8), one Mn(4), one Mn(5), and one Mn(7) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(15)Li2Mn3 square pyramid,  a cornercorner with one O(20)Li2Mn3 square pyramid,  a cornercorner with one O(24)Li2Mn3 square pyramid,  a cornercorner with one O(4)Li2Mn3 square pyramid,  a cornercorner with one O(8)Li2Mn3 square pyramid, corners with two equivalent O(5)Li3Mn2 square pyramids, corners with two equivalent O(6)Li3Mn2 square pyramids,  an edgeedge with one O(24)Li2Mn3 square pyramid,  an edgeedge with one O(4)Li2Mn3 square pyramid,  an edgeedge with one O(8)Li2Mn3 square pyramid,  an edgeedge with one O(23)Li3Mn2 square pyramid, edges with two equivalent O(15)Li2Mn3 square pyramids, and edges with two equivalent O(20)Li2Mn3 square pyramids. In the eighteenth O site, O(18) is bonded to one Li(3), one Li(4), one Li(6), one Mn(3), and one Mn(6) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(1)Li3Mn2 square pyramid,  a cornercorner with one O(19)Li3Mn2 square pyramid,  a cornercorner with one O(23)Li3Mn2 square pyramid,  a cornercorner with one O(5)Li3Mn2 square pyramid,  a cornercorner with one O(6)Li3Mn2 square pyramid, corners with two equivalent O(10)Li2Mn3 square pyramids, corners with two equivalent O(14)Li2Mn3 square pyramids,  an edgeedge with one O(11)Li2Mn3 square pyramid,  an edgeedge with one O(23)Li3Mn2 square pyramid,  an edgeedge with one O(5)Li3Mn2 square pyramid,  an edgeedge with one O(6)Li3Mn2 square pyramid, edges with two equivalent O(1)Li3Mn2 square pyramids, and edges with two equivalent O(19)Li3Mn2 square pyramids. In the nineteenth O site, O(19) is bonded to one Li(3), one Li(4), one Li(6), one Mn(3), and one Mn(6) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(1)Li3Mn2 square pyramid,  a cornercorner with one O(18)Li3Mn2 square pyramid,  a cornercorner with one O(23)Li3Mn2 square pyramid,  a cornercorner with one O(5)Li3Mn2 square pyramid,  a cornercorner with one O(6)Li3Mn2 square pyramid, corners with two equivalent O(10)Li2Mn3 square pyramids, corners with two equivalent O(11)Li2Mn3 square pyramids,  an edgeedge with one O(14)Li2Mn3 square pyramid,  an edgeedge with one O(23)Li3Mn2 square pyramid,  an edgeedge with one O(5)Li3Mn2 square pyramid,  an edgeedge with one O(6)Li3Mn2 square pyramid, edges with two equivalent O(1)Li3Mn2 square pyramids, and edges with two equivalent O(18)Li3Mn2 square pyramids. In the twentieth O site, O(20) is bonded to one Li(10), one Li(8), one Mn(4), one Mn(5), and one Mn(7) atom to form distorted OLi2Mn3 square pyramids that share  a cornercorner with one O(15)Li2Mn3 square pyramid,  a cornercorner with one O(17)Li2Mn3 square pyramid,  a cornercorner with one O(24)Li2Mn3 square pyramid,  a cornercorner with one O(4)Li2Mn3 square pyramid,  a cornercorner with one O(8)Li2Mn3 square pyramid, corners with two equivalent O(23)Li3Mn2 square pyramids, corners with two equivalent O(5)Li3Mn2 square pyramids,  an edgeedge with one O(24)Li2Mn3 square pyramid,  an edgeedge with one O(4)Li2Mn3 square pyramid,  an edgeedge with one O(8)Li2Mn3 square pyramid,  an edgeedge with one O(6)Li3Mn2 square pyramid, edges with two equivalent O(15)Li2Mn3 square pyramids, and edges with two equivalent O(17)Li2Mn3 square pyramids. In the twenty-first O site, O(21) is bonded to one Li(2), one Li(5), one Li(7), one Mn(10), and one Mn(2) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(12)Li3Mn2 square pyramid,  a cornercorner with one O(13)Li3Mn2 square pyramid,  a cornercorner with one O(16)Li3Mn2 square pyramid,  a cornercorner with one O(2)Li3Mn2 square pyramid,  a cornercorner with one O(9)Li3Mn2 square pyramid, corners with two equivalent O(3)Li2Mn3 square pyramids, corners with two equivalent O(7)Li2Mn3 square pyramids,  an edgeedge with one O(22)Li2Mn3 square pyramid,  an edgeedge with one O(12)Li3Mn2 square pyramid,  an edgeedge with one O(13)Li3Mn2 square pyramid,  an edgeedge with one O(9)Li3Mn2 square pyramid, edges with two equivalent O(16)Li3Mn2 square pyramids, and edges with two equivalent O(2)Li3Mn2 square pyramids. In the twenty-second O site, O(22) is bonded to one Li(5), one Li(7), one Mn(1), one Mn(8), and one Mn(9) atom to form distorted OLi2Mn3 square pyramids that share  a cornercorner with one O(10)Li2Mn3 square pyramid,  a cornercorner with one O(11)Li2Mn3 square pyramid,  a cornercorner with one O(14)Li2Mn3 square pyramid,  a cornercorner with one O(3)Li2Mn3 square pyramid,  a cornercorner with one O(7)Li2Mn3 square pyramid, corners with two equivalent O(16)Li3Mn2 square pyramids, corners with two equivalent O(2)Li3Mn2 square pyramids,  an edgeedge with one O(10)Li2Mn3 square pyramid,  an edgeedge with one O(11)Li2Mn3 square pyramid,  an edgeedge with one O(14)Li2Mn3 square pyramid,  an edgeedge with one O(21)Li3Mn2 square pyramid, edges with two equivalent O(3)Li2Mn3 square pyramids, and edges with two equivalent O(7)Li2Mn3 square pyramids. In the twenty-third O site, O(23) is bonded to one Li(10), one Li(6), one Li(8), one Mn(3), and one Mn(6) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(1)Li3Mn2 square pyramid,  a cornercorner with one O(18)Li3Mn2 square pyramid,  a cornercorner with one O(19)Li3Mn2 square pyramid,  a cornercorner with one O(5)Li3Mn2 square pyramid,  a cornercorner with one O(6)Li3Mn2 square pyramid, corners with two equivalent O(15)Li2Mn3 square pyramids, corners with two equivalent O(20)Li2Mn3 square pyramids,  an edgeedge with one O(17)Li2Mn3 square pyramid,  an edgeedge with one O(1)Li3Mn2 square pyramid,  an edgeedge with one O(18)Li3Mn2 square pyramid,  an edgeedge with one O(19)Li3Mn2 square pyramid, edges with two equivalent O(5)Li3Mn2 square pyramids, and edges with two equivalent O(6)Li3Mn2 square pyramids. In the twenty-fourth O site, O(24) is bonded to one Li(1), one Li(9), one Mn(4), one Mn(5), and one Mn(7) atom to form distorted OLi2Mn3 square pyramids that share  a cornercorner with one O(15)Li2Mn3 square pyramid,  a cornercorner with one O(17)Li2Mn3 square pyramid,  a cornercorner with one O(20)Li2Mn3 square pyramid,  a cornercorner with one O(4)Li2Mn3 square pyramid,  a cornercorner with one O(8)Li2Mn3 square pyramid, corners with two equivalent O(12)Li3Mn2 square pyramids, corners with two equivalent O(9)Li3Mn2 square pyramids,  an edgeedge with one O(15)Li2Mn3 square pyramid,  an edgeedge with one O(17)Li2Mn3 square pyramid,  an edgeedge with one O(20)Li2Mn3 square pyramid,  an edgeedge with one O(13)Li3Mn2 square pyramid, edges with two equivalent O(4)Li2Mn3 square pyramids, and edges with two equivalent O(8)Li2Mn3 square pyramids. is represented by the CIF file [CIF]
data_Li5Mn5O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.030
_cell_length_b   5.051
_cell_length_c   19.758
_cell_angle_alpha   92.413
_cell_angle_beta   93.452
_cell_angle_gamma   118.711
_symmetry_Int_Tables_number   1
_cell_volume   438.010
_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  0.078  0.901  0.265  1.0
  Li  Li1  1  0.128  0.622  0.375  1.0
  Li  Li2  1  0.275  0.779  0.764  1.0
  Li  Li3  1  0.582  0.395  0.766  1.0
  Li  Li4  1  0.472  0.975  0.486  1.0
  Li  Li5  1  0.621  0.126  0.875  1.0
  Li  Li6  1  0.854  0.666  0.484  1.0
  Li  Li7  1  0.969  0.475  0.986  1.0
  Li  Li8  1  0.773  0.282  0.264  1.0
  Li  Li9  1  0.667  0.858  0.985  1.0
  Mn  Mn10  1  0.212  0.038  0.625  1.0
  Mn  Mn11  1  0.451  0.300  0.375  1.0
  Mn  Mn12  1  0.959  0.801  0.875  1.0
  Mn  Mn13  1  0.378  0.872  0.125  1.0
  Mn  Mn14  1  0.711  0.537  0.124  1.0
  Mn  Mn15  1  0.286  0.453  0.875  1.0
  Mn  Mn16  1  0.045  0.208  0.125  1.0
  Mn  Mn17  1  0.879  0.370  0.625  1.0
  Mn  Mn18  1  0.543  0.707  0.625  1.0
  Mn  Mn19  1  0.788  0.962  0.375  1.0
  O  O20  1  0.258  0.107  0.822  1.0
  O  O21  1  0.142  0.998  0.428  1.0
  O  O22  1  0.524  0.353  0.575  1.0
  O  O23  1  0.027  0.527  0.181  1.0
  O  O24  1  0.655  0.517  0.929  1.0
  O  O25  1  0.281  0.775  0.930  1.0
  O  O26  1  0.222  0.727  0.569  1.0
  O  O27  1  0.401  0.222  0.175  1.0
  O  O28  1  0.750  0.610  0.322  1.0
  O  O29  1  0.525  0.024  0.681  1.0
  O  O30  1  0.901  0.725  0.675  1.0
  O  O31  1  0.461  0.982  0.320  1.0
  O  O32  1  0.088  0.244  0.321  1.0
  O  O33  1  0.242  0.397  0.675  1.0
  O  O34  1  0.008  0.848  0.074  1.0
  O  O35  1  0.771  0.286  0.430  1.0
  O  O36  1  0.728  0.218  0.069  1.0
  O  O37  1  0.965  0.479  0.820  1.0
  O  O38  1  0.590  0.736  0.821  1.0
  O  O39  1  0.355  0.524  0.075  1.0
  O  O40  1  0.507  0.659  0.429  1.0
  O  O41  1  0.849  0.010  0.575  1.0
  O  O42  1  0.987  0.147  0.928  1.0
  O  O43  1  0.749  0.897  0.176  1.0
[/CIF]
.