Li3Mn4O8 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(15), one O(16), one O(3), and one O(5) atom to form distorted LiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent 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(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Mn(6)O6 octahedra, and edges with two equivalent Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the second Li site, Li(2) is bonded to one O(12), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form LiO6 octahedra that share corners with two equivalent Li(6)O6 octahedra, corners with four equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)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,  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 10-15°. In the third Li site, Li(3) is bonded to one O(15), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with four equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)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,  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 10-15°. In the fourth Li site, Li(4) is bonded to one O(12), one O(13), one O(4), one O(7), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share corners with two equivalent Mn(8)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the fifth Li site, Li(5) is bonded to one O(10), one O(11), one O(13), one O(14), one O(15), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)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,  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(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. In the sixth Li site, Li(6) is bonded to one O(10), one O(11), one O(12), one O(13), one O(14), and one O(5) atom to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)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,  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(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(9) atom to form MnO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)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,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(10), one O(12), one O(3), one O(4), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. In the third Mn site, Mn(3) is bonded to one O(11), one O(12), one O(2), one O(4), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(6)O6 octahedra, corners with four equivalent Mn(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-14°. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(11), one O(13), one O(14), one O(16), and one O(4) atom to form MnO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)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,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Li(6)O6 octahedra. In the fifth Mn site, Mn(5) is bonded to one O(12), one O(14), one O(4), one O(6), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(7)O6 octahedra, corners with four equivalent Mn(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-14°. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(11), one O(15), one O(16), one O(2), and one O(5) atom to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with four equivalent Mn(7)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-14°. In the seventh Mn site, Mn(7) is bonded to one O(1), one O(14), one O(15), one O(16), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with two equivalent Mn(5)O6 octahedra, corners with four equivalent Mn(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-14°. In the eighth Mn site, Mn(8) is bonded to one O(1), one O(13), one O(15), one O(16), one O(5), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent 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(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Mn(6)O6 octahedra, and edges with two equivalent Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Mn(1), one Mn(6), one Mn(7), and one Mn(8) atom to form OLiMn4 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(10)Li3Mn2 square pyramid,  a cornercorner with one O(13)Li3Mn2 square pyramid,  a cornercorner with one O(9)LiMn4 square pyramid, corners with four equivalent O(16)LiMn4 square pyramids, edges with two equivalent O(15)Li3Mn3 octahedra, edges with two equivalent O(5)Li3Mn3 octahedra,  an edgeedge with one O(2)Li2Mn3 square pyramid,  an edgeedge with one O(6)Li2Mn3 square pyramid,  an edgeedge with one O(3)Li3Mn2 square pyramid, and  an edgeedge with one O(7)Li3Mn2 square pyramid. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Mn(1), one Mn(3), and one Mn(6) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(3)Li3Mn2 square pyramid,  a cornercorner with one O(7)Li3Mn2 square pyramid,  a cornercorner with one O(16)LiMn4 square pyramid,  a cornercorner with one O(4)LiMn4 square pyramid, corners with two equivalent O(11)Li2Mn3 square pyramids, corners with three equivalent O(6)Li2Mn3 square pyramids,  an edgeedge with one O(12)Li3Mn3 octahedra,  an edgeedge with one O(15)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(3)Li3Mn2 square pyramid,  an edgeedge with one O(7)Li3Mn2 square pyramid,  an edgeedge with one O(1)LiMn4 square pyramid, and  an edgeedge with one O(9)LiMn4 square pyramid. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Mn(1), and one Mn(2) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(2)Li2Mn3 square pyramid,  a cornercorner with one O(6)Li2Mn3 square pyramid,  a cornercorner with one O(16)LiMn4 square pyramid,  a cornercorner with one O(4)LiMn4 square pyramid, corners with two equivalent O(10)Li3Mn2 square pyramids, corners with three equivalent O(7)Li3Mn2 square pyramids,  an edgeedge with one O(12)Li3Mn3 octahedra,  an edgeedge with one O(15)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(2)Li2Mn3 square pyramid,  an edgeedge with one O(6)Li2Mn3 square pyramid,  an edgeedge with one O(1)LiMn4 square pyramid, and  an edgeedge with one O(9)LiMn4 square pyramid. In the fourth O site, O(4) is bonded to one Li(4), one Mn(2), one Mn(3), one Mn(4), and one Mn(5) atom to form OLiMn4 square pyramids that share  a cornercorner with one O(2)Li2Mn3 square pyramid,  a cornercorner with one O(6)Li2Mn3 square pyramid,  a cornercorner with one O(3)Li3Mn2 square pyramid,  a cornercorner with one O(7)Li3Mn2 square pyramid,  a cornercorner with one O(16)LiMn4 square pyramid, corners with four equivalent O(9)LiMn4 square pyramids, edges with two equivalent O(12)Li3Mn3 octahedra, edges with two equivalent O(8)Li3Mn3 octahedra,  an edgeedge with one O(11)Li2Mn3 square pyramid,  an edgeedge with one O(14)Li2Mn3 square pyramid,  an edgeedge with one O(10)Li3Mn2 square pyramid, and  an edgeedge with one O(13)Li3Mn2 square pyramid. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(6), one Mn(6), one Mn(7), and one Mn(8) atom to form OLi3Mn3 octahedra that share corners with two equivalent O(12)Li3Mn3 octahedra, corners with four equivalent O(15)Li3Mn3 octahedra,  an edgeedge with one O(11)Li2Mn3 square pyramid,  an edgeedge with one O(14)Li2Mn3 square pyramid,  an edgeedge with one O(2)Li2Mn3 square pyramid,  an edgeedge with one O(6)Li2Mn3 square pyramid,  an edgeedge with one O(10)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(7)Li3Mn2 square pyramid, edges with two equivalent O(1)LiMn4 square pyramids, and edges with two equivalent O(16)LiMn4 square pyramids. The corner-sharing octahedral tilt angles range from 0-2°. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Mn(1), one Mn(5), and one Mn(7) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(3)Li3Mn2 square pyramid,  a cornercorner with one O(7)Li3Mn2 square pyramid,  a cornercorner with one O(16)LiMn4 square pyramid,  a cornercorner with one O(4)LiMn4 square pyramid, corners with two equivalent O(14)Li2Mn3 square pyramids, corners with three equivalent O(2)Li2Mn3 square pyramids,  an edgeedge with one O(12)Li3Mn3 octahedra,  an edgeedge with one O(15)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(3)Li3Mn2 square pyramid,  an edgeedge with one O(7)Li3Mn2 square pyramid,  an edgeedge with one O(1)LiMn4 square pyramid, and  an edgeedge with one O(9)LiMn4 square pyramid. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one Li(4), one Mn(1), and one Mn(8) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(2)Li2Mn3 square pyramid,  a cornercorner with one O(6)Li2Mn3 square pyramid,  a cornercorner with one O(16)LiMn4 square pyramid,  a cornercorner with one O(4)LiMn4 square pyramid, corners with two equivalent O(13)Li3Mn2 square pyramids, corners with three equivalent O(3)Li3Mn2 square pyramids,  an edgeedge with one O(12)Li3Mn3 octahedra,  an edgeedge with one O(15)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(2)Li2Mn3 square pyramid,  an edgeedge with one O(6)Li2Mn3 square pyramid,  an edgeedge with one O(1)LiMn4 square pyramid, and  an edgeedge with one O(9)LiMn4 square pyramid. In the eighth O site, O(8) is bonded to one Li(3), one Li(4), one Li(5), one Mn(2), one Mn(3), and one Mn(5) atom to form distorted OLi3Mn3 octahedra that share corners with two equivalent O(15)Li3Mn3 octahedra, corners with four equivalent O(12)Li3Mn3 octahedra,  an edgeedge with one O(11)Li2Mn3 square pyramid,  an edgeedge with one O(14)Li2Mn3 square pyramid,  an edgeedge with one O(2)Li2Mn3 square pyramid,  an edgeedge with one O(6)Li2Mn3 square pyramid,  an edgeedge with one O(10)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(7)Li3Mn2 square pyramid, edges with two equivalent O(4)LiMn4 square pyramids, and edges with two equivalent O(9)LiMn4 square pyramids. The corner-sharing octahedral tilt angles range from 0-3°. In the ninth O site, O(9) is bonded to one Li(4), one Mn(1), one Mn(2), one Mn(3), and one Mn(5) atom to form OLiMn4 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(10)Li3Mn2 square pyramid,  a cornercorner with one O(13)Li3Mn2 square pyramid,  a cornercorner with one O(1)LiMn4 square pyramid, corners with four equivalent O(4)LiMn4 square pyramids, edges with two equivalent O(12)Li3Mn3 octahedra, edges with two equivalent O(8)Li3Mn3 octahedra,  an edgeedge with one O(2)Li2Mn3 square pyramid,  an edgeedge with one O(6)Li2Mn3 square pyramid,  an edgeedge with one O(3)Li3Mn2 square pyramid, and  an edgeedge with one O(7)Li3Mn2 square pyramid. In the tenth O site, O(10) is bonded to one Li(1), one Li(5), one Li(6), one Mn(2), and one Mn(4) atom to form OLi3Mn2 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(1)LiMn4 square pyramid,  a cornercorner with one O(9)LiMn4 square pyramid, corners with two equivalent O(3)Li3Mn2 square pyramids, corners with three equivalent O(13)Li3Mn2 square pyramids,  an edgeedge with one O(12)Li3Mn3 octahedra,  an edgeedge with one O(15)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(11)Li2Mn3 square pyramid,  an edgeedge with one O(14)Li2Mn3 square pyramid,  an edgeedge with one O(16)LiMn4 square pyramid, and  an edgeedge with one O(4)LiMn4 square pyramid. In the eleventh O site, O(11) is bonded to one Li(5), one Li(6), one Mn(3), one Mn(4), and one Mn(6) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(10)Li3Mn2 square pyramid,  a cornercorner with one O(13)Li3Mn2 square pyramid,  a cornercorner with one O(1)LiMn4 square pyramid,  a cornercorner with one O(9)LiMn4 square pyramid, corners with two equivalent O(2)Li2Mn3 square pyramids, corners with three equivalent O(14)Li2Mn3 square pyramids,  an edgeedge with one O(12)Li3Mn3 octahedra,  an edgeedge with one O(15)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3Mn2 square pyramid,  an edgeedge with one O(13)Li3Mn2 square pyramid,  an edgeedge with one O(16)LiMn4 square pyramid, and  an edgeedge with one O(4)LiMn4 square pyramid. In the twelfth O site, O(12) is bonded to one Li(2), one Li(4), one Li(6), one Mn(2), one Mn(3), and one Mn(5) atom to form OLi3Mn3 octahedra that share corners with two equivalent O(5)Li3Mn3 octahedra, corners with four equivalent O(8)Li3Mn3 octahedra,  an edgeedge with one O(11)Li2Mn3 square pyramid,  an edgeedge with one O(14)Li2Mn3 square pyramid,  an edgeedge with one O(2)Li2Mn3 square pyramid,  an edgeedge with one O(6)Li2Mn3 square pyramid,  an edgeedge with one O(10)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(7)Li3Mn2 square pyramid, edges with two equivalent O(4)LiMn4 square pyramids, and edges with two equivalent O(9)LiMn4 square pyramids. The corner-sharing octahedral tilt angles range from 0-2°. In the thirteenth O site, O(13) is bonded to one Li(4), one Li(5), one Li(6), one Mn(4), and one Mn(8) atom to form OLi3Mn2 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(1)LiMn4 square pyramid,  a cornercorner with one O(9)LiMn4 square pyramid, corners with two equivalent O(7)Li3Mn2 square pyramids, corners with three equivalent O(10)Li3Mn2 square pyramids,  an edgeedge with one O(12)Li3Mn3 octahedra,  an edgeedge with one O(15)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(11)Li2Mn3 square pyramid,  an edgeedge with one O(14)Li2Mn3 square pyramid,  an edgeedge with one O(16)LiMn4 square pyramid, and  an edgeedge with one O(4)LiMn4 square pyramid. In the fourteenth O site, O(14) is bonded to one Li(5), one Li(6), one Mn(4), one Mn(5), and one Mn(7) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(10)Li3Mn2 square pyramid,  a cornercorner with one O(13)Li3Mn2 square pyramid,  a cornercorner with one O(1)LiMn4 square pyramid,  a cornercorner with one O(9)LiMn4 square pyramid, corners with two equivalent O(6)Li2Mn3 square pyramids, corners with three equivalent O(11)Li2Mn3 square pyramids,  an edgeedge with one O(12)Li3Mn3 octahedra,  an edgeedge with one O(15)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3Mn2 square pyramid,  an edgeedge with one O(13)Li3Mn2 square pyramid,  an edgeedge with one O(16)LiMn4 square pyramid, and  an edgeedge with one O(4)LiMn4 square pyramid. In the fifteenth O site, O(15) is bonded to one Li(1), one Li(3), one Li(5), one Mn(6), one Mn(7), and one Mn(8) atom to form distorted OLi3Mn3 octahedra that share corners with two equivalent O(8)Li3Mn3 octahedra, corners with four equivalent O(5)Li3Mn3 octahedra,  an edgeedge with one O(11)Li2Mn3 square pyramid,  an edgeedge with one O(14)Li2Mn3 square pyramid,  an edgeedge with one O(2)Li2Mn3 square pyramid,  an edgeedge with one O(6)Li2Mn3 square pyramid,  an edgeedge with one O(10)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(7)Li3Mn2 square pyramid, edges with two equivalent O(1)LiMn4 square pyramids, and edges with two equivalent O(16)LiMn4 square pyramids. The corner-sharing octahedral tilt angles range from 0-3°. In the sixteenth O site, O(16) is bonded to one Li(1), one Mn(4), one Mn(6), one Mn(7), and one Mn(8) atom to form OLiMn4 square pyramids that share  a cornercorner with one O(2)Li2Mn3 square pyramid,  a cornercorner with one O(6)Li2Mn3 square pyramid,  a cornercorner with one O(3)Li3Mn2 square pyramid,  a cornercorner with one O(7)Li3Mn2 square pyramid,  a cornercorner with one O(4)LiMn4 square pyramid, corners with four equivalent O(1)LiMn4 square pyramids, edges with two equivalent O(15)Li3Mn3 octahedra, edges with two equivalent O(5)Li3Mn3 octahedra,  an edgeedge with one O(11)Li2Mn3 square pyramid,  an edgeedge with one O(14)Li2Mn3 square pyramid,  an edgeedge with one O(10)Li3Mn2 square pyramid, and  an edgeedge with one O(13)Li3Mn2 square pyramid.
Li3Mn4O8 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(15), one O(16), one O(3), and one O(5) atom to form distorted LiO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent 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(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Mn(6)O6 octahedra, and edges with two equivalent Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. The Li(1)-O(1) bond length is 2.17 Å. The Li(1)-O(10) bond length is 2.10 Å. The Li(1)-O(15) bond length is 2.52 Å. The Li(1)-O(16) bond length is 2.17 Å. The Li(1)-O(3) bond length is 2.10 Å. The Li(1)-O(5) bond length is 2.26 Å. In the second Li site, Li(2) is bonded to one O(12), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form LiO6 octahedra that share corners with two equivalent Li(6)O6 octahedra, corners with four equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)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,  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 10-15°. The Li(2)-O(12) bond length is 2.02 Å. The Li(2)-O(2) bond length is 2.09 Å. The Li(2)-O(3) bond length is 2.15 Å. The Li(2)-O(5) bond length is 2.01 Å. The Li(2)-O(6) bond length is 2.08 Å. The Li(2)-O(7) bond length is 2.23 Å. In the third Li site, Li(3) is bonded to one O(15), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with four equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)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,  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 10-15°. The Li(3)-O(15) bond length is 2.02 Å. The Li(3)-O(2) bond length is 2.08 Å. The Li(3)-O(3) bond length is 2.18 Å. The Li(3)-O(6) bond length is 2.08 Å. The Li(3)-O(7) bond length is 2.20 Å. The Li(3)-O(8) bond length is 2.02 Å. In the fourth Li site, Li(4) is bonded to one O(12), one O(13), one O(4), one O(7), one O(8), and one O(9) atom to form distorted LiO6 octahedra that share corners with two equivalent Mn(8)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. The Li(4)-O(12) bond length is 2.29 Å. The Li(4)-O(13) bond length is 2.11 Å. The Li(4)-O(4) bond length is 2.16 Å. The Li(4)-O(7) bond length is 2.10 Å. The Li(4)-O(8) bond length is 2.51 Å. The Li(4)-O(9) bond length is 2.18 Å. In the fifth Li site, Li(5) is bonded to one O(10), one O(11), one O(13), one O(14), one O(15), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)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,  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(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. The Li(5)-O(10) bond length is 2.15 Å. The Li(5)-O(11) bond length is 2.08 Å. The Li(5)-O(13) bond length is 2.27 Å. The Li(5)-O(14) bond length is 2.07 Å. The Li(5)-O(15) bond length is 2.02 Å. The Li(5)-O(8) bond length is 2.02 Å. In the sixth Li site, Li(6) is bonded to one O(10), one O(11), one O(12), one O(13), one O(14), and one O(5) atom to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)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,  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(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. The Li(6)-O(10) bond length is 2.17 Å. The Li(6)-O(11) bond length is 2.09 Å. The Li(6)-O(12) bond length is 2.02 Å. The Li(6)-O(13) bond length is 2.17 Å. The Li(6)-O(14) bond length is 2.10 Å. The Li(6)-O(5) bond length is 2.02 Å. There are eight inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(9) atom to form MnO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)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,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Li(3)O6 octahedra. The Mn(1)-O(1) bond length is 1.93 Å. The Mn(1)-O(2) bond length is 1.93 Å. The Mn(1)-O(3) bond length is 1.91 Å. The Mn(1)-O(6) bond length is 1.93 Å. The Mn(1)-O(7) bond length is 1.90 Å. The Mn(1)-O(9) bond length is 1.93 Å. In the second Mn site, Mn(2) is bonded to one O(10), one O(12), one O(3), one O(4), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. The Mn(2)-O(10) bond length is 1.92 Å. The Mn(2)-O(12) bond length is 1.98 Å. The Mn(2)-O(3) bond length is 1.93 Å. The Mn(2)-O(4) bond length is 1.97 Å. The Mn(2)-O(8) bond length is 1.96 Å. The Mn(2)-O(9) bond length is 1.98 Å. In the third Mn site, Mn(3) is bonded to one O(11), one O(12), one O(2), one O(4), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(6)O6 octahedra, corners with four equivalent Mn(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-14°. The Mn(3)-O(11) bond length is 2.04 Å. The Mn(3)-O(12) bond length is 2.16 Å. The Mn(3)-O(2) bond length is 2.04 Å. The Mn(3)-O(4) bond length is 2.12 Å. The Mn(3)-O(8) bond length is 2.13 Å. The Mn(3)-O(9) bond length is 2.10 Å. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(11), one O(13), one O(14), one O(16), and one O(4) atom to form MnO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)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,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Li(6)O6 octahedra. The Mn(4)-O(10) bond length is 1.91 Å. The Mn(4)-O(11) bond length is 1.93 Å. The Mn(4)-O(13) bond length is 1.90 Å. The Mn(4)-O(14) bond length is 1.93 Å. The Mn(4)-O(16) bond length is 1.94 Å. The Mn(4)-O(4) bond length is 1.93 Å. In the fifth Mn site, Mn(5) is bonded to one O(12), one O(14), one O(4), one O(6), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(7)O6 octahedra, corners with four equivalent Mn(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-14°. The Mn(5)-O(12) bond length is 2.02 Å. The Mn(5)-O(14) bond length is 2.00 Å. The Mn(5)-O(4) bond length is 2.25 Å. The Mn(5)-O(6) bond length is 2.00 Å. The Mn(5)-O(8) bond length is 2.01 Å. The Mn(5)-O(9) bond length is 2.27 Å. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(11), one O(15), one O(16), one O(2), and one O(5) atom to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with four equivalent Mn(7)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-14°. The Mn(6)-O(1) bond length is 2.27 Å. The Mn(6)-O(11) bond length is 2.00 Å. The Mn(6)-O(15) bond length is 2.01 Å. The Mn(6)-O(16) bond length is 2.26 Å. The Mn(6)-O(2) bond length is 2.00 Å. The Mn(6)-O(5) bond length is 2.02 Å. In the seventh Mn site, Mn(7) is bonded to one O(1), one O(14), one O(15), one O(16), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with two equivalent Mn(5)O6 octahedra, corners with four equivalent Mn(6)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-14°. The Mn(7)-O(1) bond length is 2.10 Å. The Mn(7)-O(14) bond length is 2.04 Å. The Mn(7)-O(15) bond length is 2.13 Å. The Mn(7)-O(16) bond length is 2.12 Å. The Mn(7)-O(5) bond length is 2.15 Å. The Mn(7)-O(6) bond length is 2.04 Å. In the eighth Mn site, Mn(8) is bonded to one O(1), one O(13), one O(15), one O(16), one O(5), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent 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(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Mn(6)O6 octahedra, and edges with two equivalent Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-10°. The Mn(8)-O(1) bond length is 1.97 Å. The Mn(8)-O(13) bond length is 1.92 Å. The Mn(8)-O(15) bond length is 1.97 Å. The Mn(8)-O(16) bond length is 1.98 Å. The Mn(8)-O(5) bond length is 1.99 Å. The Mn(8)-O(7) bond length is 1.92 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Mn(1), one Mn(6), one Mn(7), and one Mn(8) atom to form OLiMn4 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(10)Li3Mn2 square pyramid,  a cornercorner with one O(13)Li3Mn2 square pyramid,  a cornercorner with one O(9)LiMn4 square pyramid, corners with four equivalent O(16)LiMn4 square pyramids, edges with two equivalent O(15)Li3Mn3 octahedra, edges with two equivalent O(5)Li3Mn3 octahedra,  an edgeedge with one O(2)Li2Mn3 square pyramid,  an edgeedge with one O(6)Li2Mn3 square pyramid,  an edgeedge with one O(3)Li3Mn2 square pyramid, and  an edgeedge with one O(7)Li3Mn2 square pyramid. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Mn(1), one Mn(3), and one Mn(6) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(3)Li3Mn2 square pyramid,  a cornercorner with one O(7)Li3Mn2 square pyramid,  a cornercorner with one O(16)LiMn4 square pyramid,  a cornercorner with one O(4)LiMn4 square pyramid, corners with two equivalent O(11)Li2Mn3 square pyramids, corners with three equivalent O(6)Li2Mn3 square pyramids,  an edgeedge with one O(12)Li3Mn3 octahedra,  an edgeedge with one O(15)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(3)Li3Mn2 square pyramid,  an edgeedge with one O(7)Li3Mn2 square pyramid,  an edgeedge with one O(1)LiMn4 square pyramid, and  an edgeedge with one O(9)LiMn4 square pyramid. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Mn(1), and one Mn(2) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(2)Li2Mn3 square pyramid,  a cornercorner with one O(6)Li2Mn3 square pyramid,  a cornercorner with one O(16)LiMn4 square pyramid,  a cornercorner with one O(4)LiMn4 square pyramid, corners with two equivalent O(10)Li3Mn2 square pyramids, corners with three equivalent O(7)Li3Mn2 square pyramids,  an edgeedge with one O(12)Li3Mn3 octahedra,  an edgeedge with one O(15)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(2)Li2Mn3 square pyramid,  an edgeedge with one O(6)Li2Mn3 square pyramid,  an edgeedge with one O(1)LiMn4 square pyramid, and  an edgeedge with one O(9)LiMn4 square pyramid. In the fourth O site, O(4) is bonded to one Li(4), one Mn(2), one Mn(3), one Mn(4), and one Mn(5) atom to form OLiMn4 square pyramids that share  a cornercorner with one O(2)Li2Mn3 square pyramid,  a cornercorner with one O(6)Li2Mn3 square pyramid,  a cornercorner with one O(3)Li3Mn2 square pyramid,  a cornercorner with one O(7)Li3Mn2 square pyramid,  a cornercorner with one O(16)LiMn4 square pyramid, corners with four equivalent O(9)LiMn4 square pyramids, edges with two equivalent O(12)Li3Mn3 octahedra, edges with two equivalent O(8)Li3Mn3 octahedra,  an edgeedge with one O(11)Li2Mn3 square pyramid,  an edgeedge with one O(14)Li2Mn3 square pyramid,  an edgeedge with one O(10)Li3Mn2 square pyramid, and  an edgeedge with one O(13)Li3Mn2 square pyramid. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(6), one Mn(6), one Mn(7), and one Mn(8) atom to form OLi3Mn3 octahedra that share corners with two equivalent O(12)Li3Mn3 octahedra, corners with four equivalent O(15)Li3Mn3 octahedra,  an edgeedge with one O(11)Li2Mn3 square pyramid,  an edgeedge with one O(14)Li2Mn3 square pyramid,  an edgeedge with one O(2)Li2Mn3 square pyramid,  an edgeedge with one O(6)Li2Mn3 square pyramid,  an edgeedge with one O(10)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(7)Li3Mn2 square pyramid, edges with two equivalent O(1)LiMn4 square pyramids, and edges with two equivalent O(16)LiMn4 square pyramids. The corner-sharing octahedral tilt angles range from 0-2°. In the sixth O site, O(6) is bonded to one Li(2), one Li(3), one Mn(1), one Mn(5), and one Mn(7) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(3)Li3Mn2 square pyramid,  a cornercorner with one O(7)Li3Mn2 square pyramid,  a cornercorner with one O(16)LiMn4 square pyramid,  a cornercorner with one O(4)LiMn4 square pyramid, corners with two equivalent O(14)Li2Mn3 square pyramids, corners with three equivalent O(2)Li2Mn3 square pyramids,  an edgeedge with one O(12)Li3Mn3 octahedra,  an edgeedge with one O(15)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(3)Li3Mn2 square pyramid,  an edgeedge with one O(7)Li3Mn2 square pyramid,  an edgeedge with one O(1)LiMn4 square pyramid, and  an edgeedge with one O(9)LiMn4 square pyramid. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one Li(4), one Mn(1), and one Mn(8) atom to form OLi3Mn2 square pyramids that share  a cornercorner with one O(2)Li2Mn3 square pyramid,  a cornercorner with one O(6)Li2Mn3 square pyramid,  a cornercorner with one O(16)LiMn4 square pyramid,  a cornercorner with one O(4)LiMn4 square pyramid, corners with two equivalent O(13)Li3Mn2 square pyramids, corners with three equivalent O(3)Li3Mn2 square pyramids,  an edgeedge with one O(12)Li3Mn3 octahedra,  an edgeedge with one O(15)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(2)Li2Mn3 square pyramid,  an edgeedge with one O(6)Li2Mn3 square pyramid,  an edgeedge with one O(1)LiMn4 square pyramid, and  an edgeedge with one O(9)LiMn4 square pyramid. In the eighth O site, O(8) is bonded to one Li(3), one Li(4), one Li(5), one Mn(2), one Mn(3), and one Mn(5) atom to form distorted OLi3Mn3 octahedra that share corners with two equivalent O(15)Li3Mn3 octahedra, corners with four equivalent O(12)Li3Mn3 octahedra,  an edgeedge with one O(11)Li2Mn3 square pyramid,  an edgeedge with one O(14)Li2Mn3 square pyramid,  an edgeedge with one O(2)Li2Mn3 square pyramid,  an edgeedge with one O(6)Li2Mn3 square pyramid,  an edgeedge with one O(10)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(7)Li3Mn2 square pyramid, edges with two equivalent O(4)LiMn4 square pyramids, and edges with two equivalent O(9)LiMn4 square pyramids. The corner-sharing octahedral tilt angles range from 0-3°. In the ninth O site, O(9) is bonded to one Li(4), one Mn(1), one Mn(2), one Mn(3), and one Mn(5) atom to form OLiMn4 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(10)Li3Mn2 square pyramid,  a cornercorner with one O(13)Li3Mn2 square pyramid,  a cornercorner with one O(1)LiMn4 square pyramid, corners with four equivalent O(4)LiMn4 square pyramids, edges with two equivalent O(12)Li3Mn3 octahedra, edges with two equivalent O(8)Li3Mn3 octahedra,  an edgeedge with one O(2)Li2Mn3 square pyramid,  an edgeedge with one O(6)Li2Mn3 square pyramid,  an edgeedge with one O(3)Li3Mn2 square pyramid, and  an edgeedge with one O(7)Li3Mn2 square pyramid. In the tenth O site, O(10) is bonded to one Li(1), one Li(5), one Li(6), one Mn(2), and one Mn(4) atom to form OLi3Mn2 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(1)LiMn4 square pyramid,  a cornercorner with one O(9)LiMn4 square pyramid, corners with two equivalent O(3)Li3Mn2 square pyramids, corners with three equivalent O(13)Li3Mn2 square pyramids,  an edgeedge with one O(12)Li3Mn3 octahedra,  an edgeedge with one O(15)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(11)Li2Mn3 square pyramid,  an edgeedge with one O(14)Li2Mn3 square pyramid,  an edgeedge with one O(16)LiMn4 square pyramid, and  an edgeedge with one O(4)LiMn4 square pyramid. In the eleventh O site, O(11) is bonded to one Li(5), one Li(6), one Mn(3), one Mn(4), and one Mn(6) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(10)Li3Mn2 square pyramid,  a cornercorner with one O(13)Li3Mn2 square pyramid,  a cornercorner with one O(1)LiMn4 square pyramid,  a cornercorner with one O(9)LiMn4 square pyramid, corners with two equivalent O(2)Li2Mn3 square pyramids, corners with three equivalent O(14)Li2Mn3 square pyramids,  an edgeedge with one O(12)Li3Mn3 octahedra,  an edgeedge with one O(15)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3Mn2 square pyramid,  an edgeedge with one O(13)Li3Mn2 square pyramid,  an edgeedge with one O(16)LiMn4 square pyramid, and  an edgeedge with one O(4)LiMn4 square pyramid. In the twelfth O site, O(12) is bonded to one Li(2), one Li(4), one Li(6), one Mn(2), one Mn(3), and one Mn(5) atom to form OLi3Mn3 octahedra that share corners with two equivalent O(5)Li3Mn3 octahedra, corners with four equivalent O(8)Li3Mn3 octahedra,  an edgeedge with one O(11)Li2Mn3 square pyramid,  an edgeedge with one O(14)Li2Mn3 square pyramid,  an edgeedge with one O(2)Li2Mn3 square pyramid,  an edgeedge with one O(6)Li2Mn3 square pyramid,  an edgeedge with one O(10)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(7)Li3Mn2 square pyramid, edges with two equivalent O(4)LiMn4 square pyramids, and edges with two equivalent O(9)LiMn4 square pyramids. The corner-sharing octahedral tilt angles range from 0-2°. In the thirteenth O site, O(13) is bonded to one Li(4), one Li(5), one Li(6), one Mn(4), and one Mn(8) atom to form OLi3Mn2 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(1)LiMn4 square pyramid,  a cornercorner with one O(9)LiMn4 square pyramid, corners with two equivalent O(7)Li3Mn2 square pyramids, corners with three equivalent O(10)Li3Mn2 square pyramids,  an edgeedge with one O(12)Li3Mn3 octahedra,  an edgeedge with one O(15)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(11)Li2Mn3 square pyramid,  an edgeedge with one O(14)Li2Mn3 square pyramid,  an edgeedge with one O(16)LiMn4 square pyramid, and  an edgeedge with one O(4)LiMn4 square pyramid. In the fourteenth O site, O(14) is bonded to one Li(5), one Li(6), one Mn(4), one Mn(5), and one Mn(7) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(10)Li3Mn2 square pyramid,  a cornercorner with one O(13)Li3Mn2 square pyramid,  a cornercorner with one O(1)LiMn4 square pyramid,  a cornercorner with one O(9)LiMn4 square pyramid, corners with two equivalent O(6)Li2Mn3 square pyramids, corners with three equivalent O(11)Li2Mn3 square pyramids,  an edgeedge with one O(12)Li3Mn3 octahedra,  an edgeedge with one O(15)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3Mn2 square pyramid,  an edgeedge with one O(13)Li3Mn2 square pyramid,  an edgeedge with one O(16)LiMn4 square pyramid, and  an edgeedge with one O(4)LiMn4 square pyramid. In the fifteenth O site, O(15) is bonded to one Li(1), one Li(3), one Li(5), one Mn(6), one Mn(7), and one Mn(8) atom to form distorted OLi3Mn3 octahedra that share corners with two equivalent O(8)Li3Mn3 octahedra, corners with four equivalent O(5)Li3Mn3 octahedra,  an edgeedge with one O(11)Li2Mn3 square pyramid,  an edgeedge with one O(14)Li2Mn3 square pyramid,  an edgeedge with one O(2)Li2Mn3 square pyramid,  an edgeedge with one O(6)Li2Mn3 square pyramid,  an edgeedge with one O(10)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(7)Li3Mn2 square pyramid, edges with two equivalent O(1)LiMn4 square pyramids, and edges with two equivalent O(16)LiMn4 square pyramids. The corner-sharing octahedral tilt angles range from 0-3°. In the sixteenth O site, O(16) is bonded to one Li(1), one Mn(4), one Mn(6), one Mn(7), and one Mn(8) atom to form OLiMn4 square pyramids that share  a cornercorner with one O(2)Li2Mn3 square pyramid,  a cornercorner with one O(6)Li2Mn3 square pyramid,  a cornercorner with one O(3)Li3Mn2 square pyramid,  a cornercorner with one O(7)Li3Mn2 square pyramid,  a cornercorner with one O(4)LiMn4 square pyramid, corners with four equivalent O(1)LiMn4 square pyramids, edges with two equivalent O(15)Li3Mn3 octahedra, edges with two equivalent O(5)Li3Mn3 octahedra,  an edgeedge with one O(11)Li2Mn3 square pyramid,  an edgeedge with one O(14)Li2Mn3 square pyramid,  an edgeedge with one O(10)Li3Mn2 square pyramid, and  an edgeedge with one O(13)Li3Mn2 square pyramid.