Li3Mn4O8 crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted LiO6 octahedra that share corners with six 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(4)O6 octahedra,  an edgeedge with one Li(5)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 4-10°. In the second Li site, Li(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. In the third Li site, Li(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. In the fourth Li site, Li(4) is bonded to two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. In the fifth Li site, Li(5) is bonded to two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with six 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(4)O6 octahedra,  an edgeedge with one Li(5)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 4-10°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with six 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(4)O6 octahedra,  an edgeedge with one Li(5)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(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-16°. In the fourth Mn site, Mn(4) is bonded to two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms to form MnO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with six 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(4)O6 octahedra,  an edgeedge with one Li(5)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(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-16°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), 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(1)LiMn4 square pyramid, corners with two equivalent O(8)Li2Mn3 square pyramids, corners with two equivalent O(7)Li3Mn2 square pyramids, corners with four equivalent O(4)LiMn4 square pyramids, edges with two equivalent O(5)Li3Mn3 octahedra, edges with two equivalent O(6)Li3Mn3 octahedra, edges with two equivalent O(2)Li2Mn3 square pyramids, and edges with two equivalent O(3)Li3Mn2 square pyramids. 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(5) atom to form OLi2Mn3 square pyramids that share corners with two equivalent O(8)Li2Mn3 square pyramids, corners with two equivalent O(3)Li3Mn2 square pyramids, corners with two equivalent O(4)LiMn4 square pyramids, corners with three equivalent O(2)Li2Mn3 square pyramids, edges with two equivalent O(5)Li3Mn3 octahedra, edges with two equivalent O(6)Li3Mn3 octahedra, edges with two equivalent O(3)Li3Mn2 square pyramids, and edges with two equivalent O(1)LiMn4 square pyramids. 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 corners with two equivalent O(2)Li2Mn3 square pyramids, corners with two equivalent O(7)Li3Mn2 square pyramids, corners with two equivalent O(4)LiMn4 square pyramids, corners with three equivalent O(3)Li3Mn2 square pyramids, edges with two equivalent O(5)Li3Mn3 octahedra, edges with two equivalent O(6)Li3Mn3 octahedra, edges with two equivalent O(2)Li2Mn3 square pyramids, and edges with two equivalent O(1)LiMn4 square pyramids. In the fourth O site, O(4) is bonded to one Li(1), 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(4)LiMn4 square pyramid, corners with two equivalent O(2)Li2Mn3 square pyramids, corners with two equivalent O(3)Li3Mn2 square pyramids, corners with four equivalent O(1)LiMn4 square pyramids, edges with two equivalent O(5)Li3Mn3 octahedra, edges with two equivalent O(6)Li3Mn3 octahedra, edges with two equivalent O(8)Li2Mn3 square pyramids, and edges with two equivalent O(7)Li3Mn2 square pyramids. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(5), 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(6)Li3Mn3 octahedra, edges with two equivalent O(2)Li2Mn3 square pyramids, edges with two equivalent O(8)Li2Mn3 square pyramids, edges with two equivalent O(3)Li3Mn2 square pyramids, edges with two equivalent O(7)Li3Mn2 square pyramids, edges with two equivalent O(1)LiMn4 square pyramids, and edges with two equivalent O(4)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(1), one Li(3), one Li(4), one Mn(2), one Mn(3), and one Mn(5) atom to form distorted OLi3Mn3 octahedra that share corners with two equivalent O(6)Li3Mn3 octahedra, corners with four equivalent O(5)Li3Mn3 octahedra, edges with two equivalent O(2)Li2Mn3 square pyramids, edges with two equivalent O(8)Li2Mn3 square pyramids, edges with two equivalent O(3)Li3Mn2 square pyramids, edges with two equivalent O(7)Li3Mn2 square pyramids, edges with two equivalent O(1)LiMn4 square pyramids, and edges with two equivalent O(4)LiMn4 square pyramids. The corner-sharing octahedral tilt angles range from 0-2°. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), one Li(5), one Mn(2), and one Mn(4) atom to form OLi3Mn2 square pyramids that share corners with two equivalent O(8)Li2Mn3 square pyramids, corners with two equivalent O(3)Li3Mn2 square pyramids, corners with two equivalent O(1)LiMn4 square pyramids, corners with three equivalent O(7)Li3Mn2 square pyramids, edges with two equivalent O(5)Li3Mn3 octahedra, edges with two equivalent O(6)Li3Mn3 octahedra, edges with two equivalent O(8)Li2Mn3 square pyramids, and edges with two equivalent O(4)LiMn4 square pyramids. In the eighth O site, O(8) is bonded to one Li(4), one Li(5), one Mn(3), one Mn(4), and one Mn(5) atom to form OLi2Mn3 square pyramids that share corners with two equivalent O(2)Li2Mn3 square pyramids, corners with two equivalent O(7)Li3Mn2 square pyramids, corners with two equivalent O(1)LiMn4 square pyramids, corners with three equivalent O(8)Li2Mn3 square pyramids, edges with two equivalent O(5)Li3Mn3 octahedra, edges with two equivalent O(6)Li3Mn3 octahedra, edges with two equivalent O(7)Li3Mn2 square pyramids, and edges with two equivalent O(4)LiMn4 square pyramids.
Li3Mn4O8 crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form distorted LiO6 octahedra that share corners with six 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(4)O6 octahedra,  an edgeedge with one Li(5)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 4-10°. The Li(1)-O(1) bond length is 2.19 Å. The Li(1)-O(3) bond length is 2.12 Å. The Li(1)-O(4) bond length is 2.19 Å. The Li(1)-O(5) bond length is 2.31 Å. The Li(1)-O(6) bond length is 2.54 Å. The Li(1)-O(7) bond length is 2.12 Å. In the second Li site, Li(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. Both Li(2)-O(2) bond lengths are 2.11 Å. Both Li(2)-O(3) bond lengths are 2.22 Å. Both Li(2)-O(5) bond lengths are 2.03 Å. In the third Li site, Li(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form LiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. Both Li(3)-O(2) bond lengths are 2.12 Å. Both Li(3)-O(3) bond lengths are 2.21 Å. Both Li(3)-O(6) bond lengths are 2.05 Å. In the fourth Li site, Li(4) is bonded to two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. Both Li(4)-O(6) bond lengths are 2.03 Å. Both Li(4)-O(7) bond lengths are 2.22 Å. Both Li(4)-O(8) bond lengths are 2.10 Å. In the fifth Li site, Li(5) is bonded to two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, edges with two equivalent Mn(4)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. Both Li(5)-O(5) bond lengths are 2.04 Å. Both Li(5)-O(7) bond lengths are 2.21 Å. Both Li(5)-O(8) bond lengths are 2.12 Å. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. Both Mn(1)-O(1) bond lengths are 1.93 Å. Both Mn(1)-O(2) bond lengths are 1.93 Å. Both Mn(1)-O(3) bond lengths are 1.92 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with six 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(4)O6 octahedra,  an edgeedge with one Li(5)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 4-10°. The Mn(2)-O(1) bond length is 2.00 Å. The Mn(2)-O(3) bond length is 1.95 Å. The Mn(2)-O(4) bond length is 1.99 Å. The Mn(2)-O(5) bond length is 2.01 Å. The Mn(2)-O(6) bond length is 1.97 Å. The Mn(2)-O(7) bond length is 1.95 Å. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with six 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(4)O6 octahedra,  an edgeedge with one Li(5)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(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-16°. The Mn(3)-O(1) bond length is 2.13 Å. The Mn(3)-O(2) bond length is 2.10 Å. The Mn(3)-O(4) bond length is 2.16 Å. The Mn(3)-O(5) bond length is 2.19 Å. The Mn(3)-O(6) bond length is 2.17 Å. The Mn(3)-O(8) bond length is 2.09 Å. In the fourth Mn site, Mn(4) is bonded to two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms to form MnO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. Both Mn(4)-O(4) bond lengths are 1.94 Å. Both Mn(4)-O(7) bond lengths are 1.92 Å. Both Mn(4)-O(8) bond lengths are 1.94 Å. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with six 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(4)O6 octahedra,  an edgeedge with one Li(5)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(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-16°. The Mn(5)-O(1) bond length is 2.29 Å. The Mn(5)-O(2) bond length is 2.00 Å. The Mn(5)-O(4) bond length is 2.26 Å. The Mn(5)-O(5) bond length is 2.04 Å. The Mn(5)-O(6) bond length is 2.02 Å. The Mn(5)-O(8) bond length is 1.98 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), 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(1)LiMn4 square pyramid, corners with two equivalent O(8)Li2Mn3 square pyramids, corners with two equivalent O(7)Li3Mn2 square pyramids, corners with four equivalent O(4)LiMn4 square pyramids, edges with two equivalent O(5)Li3Mn3 octahedra, edges with two equivalent O(6)Li3Mn3 octahedra, edges with two equivalent O(2)Li2Mn3 square pyramids, and edges with two equivalent O(3)Li3Mn2 square pyramids. 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(5) atom to form OLi2Mn3 square pyramids that share corners with two equivalent O(8)Li2Mn3 square pyramids, corners with two equivalent O(3)Li3Mn2 square pyramids, corners with two equivalent O(4)LiMn4 square pyramids, corners with three equivalent O(2)Li2Mn3 square pyramids, edges with two equivalent O(5)Li3Mn3 octahedra, edges with two equivalent O(6)Li3Mn3 octahedra, edges with two equivalent O(3)Li3Mn2 square pyramids, and edges with two equivalent O(1)LiMn4 square pyramids. 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 corners with two equivalent O(2)Li2Mn3 square pyramids, corners with two equivalent O(7)Li3Mn2 square pyramids, corners with two equivalent O(4)LiMn4 square pyramids, corners with three equivalent O(3)Li3Mn2 square pyramids, edges with two equivalent O(5)Li3Mn3 octahedra, edges with two equivalent O(6)Li3Mn3 octahedra, edges with two equivalent O(2)Li2Mn3 square pyramids, and edges with two equivalent O(1)LiMn4 square pyramids. In the fourth O site, O(4) is bonded to one Li(1), 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(4)LiMn4 square pyramid, corners with two equivalent O(2)Li2Mn3 square pyramids, corners with two equivalent O(3)Li3Mn2 square pyramids, corners with four equivalent O(1)LiMn4 square pyramids, edges with two equivalent O(5)Li3Mn3 octahedra, edges with two equivalent O(6)Li3Mn3 octahedra, edges with two equivalent O(8)Li2Mn3 square pyramids, and edges with two equivalent O(7)Li3Mn2 square pyramids. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(5), 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(6)Li3Mn3 octahedra, edges with two equivalent O(2)Li2Mn3 square pyramids, edges with two equivalent O(8)Li2Mn3 square pyramids, edges with two equivalent O(3)Li3Mn2 square pyramids, edges with two equivalent O(7)Li3Mn2 square pyramids, edges with two equivalent O(1)LiMn4 square pyramids, and edges with two equivalent O(4)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(1), one Li(3), one Li(4), one Mn(2), one Mn(3), and one Mn(5) atom to form distorted OLi3Mn3 octahedra that share corners with two equivalent O(6)Li3Mn3 octahedra, corners with four equivalent O(5)Li3Mn3 octahedra, edges with two equivalent O(2)Li2Mn3 square pyramids, edges with two equivalent O(8)Li2Mn3 square pyramids, edges with two equivalent O(3)Li3Mn2 square pyramids, edges with two equivalent O(7)Li3Mn2 square pyramids, edges with two equivalent O(1)LiMn4 square pyramids, and edges with two equivalent O(4)LiMn4 square pyramids. The corner-sharing octahedral tilt angles range from 0-2°. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), one Li(5), one Mn(2), and one Mn(4) atom to form OLi3Mn2 square pyramids that share corners with two equivalent O(8)Li2Mn3 square pyramids, corners with two equivalent O(3)Li3Mn2 square pyramids, corners with two equivalent O(1)LiMn4 square pyramids, corners with three equivalent O(7)Li3Mn2 square pyramids, edges with two equivalent O(5)Li3Mn3 octahedra, edges with two equivalent O(6)Li3Mn3 octahedra, edges with two equivalent O(8)Li2Mn3 square pyramids, and edges with two equivalent O(4)LiMn4 square pyramids. In the eighth O site, O(8) is bonded to one Li(4), one Li(5), one Mn(3), one Mn(4), and one Mn(5) atom to form OLi2Mn3 square pyramids that share corners with two equivalent O(2)Li2Mn3 square pyramids, corners with two equivalent O(7)Li3Mn2 square pyramids, corners with two equivalent O(1)LiMn4 square pyramids, corners with three equivalent O(8)Li2Mn3 square pyramids, edges with two equivalent O(5)Li3Mn3 octahedra, edges with two equivalent O(6)Li3Mn3 octahedra, edges with two equivalent O(7)Li3Mn2 square pyramids, and edges with two equivalent O(4)LiMn4 square pyramids.