LiMn2O4 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(17), one O(2), one O(23), one O(4), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(11)O6 octahedra,  a cornercorner with one Mn(12)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(11)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, and  an edgeedge with one Mn(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-26°. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(20), one O(3), one O(4), and one O(6) atom. In the third Li site, Li(3) is bonded to one O(11), one O(16), one O(23), one O(5), one O(7), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Mn(12)O6 octahedra,  a cornercorner with one Mn(2)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(7)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(11)O6 octahedra,  an edgeedge with one Mn(12)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, and  an edgeedge with one Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-18°. In the fourth Li site, Li(4) is bonded to one O(10), one O(12), one O(13), one O(18), one O(3), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(10)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(8)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(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, and  an edgeedge with one Mn(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-23°. In the fifth Li site, Li(5) is bonded to one O(11), one O(14), one O(15), one O(16), one O(19), and one O(24) atom to form LiO6 octahedra that share  a cornercorner with one Mn(11)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  a cornercorner with one Mn(9)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(11)O6 octahedra,  an edgeedge with one Mn(12)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, and  an edgeedge with one Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-16°. In the sixth Li site, Li(6) is bonded to one O(15), one O(20), one O(21), one O(22), one O(24), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Mn(10)O6 octahedra,  a cornercorner with one Mn(11)O6 octahedra,  a cornercorner with one Mn(12)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(9)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(12)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, and  an edgeedge with one Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-15°. There are twelve inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(18), one O(2), one O(3), one O(4), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(11)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, and  an edgeedge with one Mn(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-23°. In the second Mn site, Mn(2) is bonded to one O(12), one O(22), one O(3), one O(4), one O(5), and one O(6) atom to form distorted MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(12)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and  an edgeedge with one Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-18°. In the third Mn site, Mn(3) is bonded to one O(11), one O(19), one O(2), one O(7), one O(8), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(11)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, and  an edgeedge with one Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-17°. In the fourth Mn site, Mn(4) is bonded to one O(11), one O(15), one O(24), one O(5), one O(6), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)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(11)O6 octahedra,  an edgeedge with one Mn(12)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, and  an edgeedge with one Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. In the fifth Mn site, Mn(5) is bonded to one O(10), one O(12), one O(17), one O(4), one O(7), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, and  an edgeedge with one Mn(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-26°. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(12), one O(13), one O(15), one O(20), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)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,  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 13-14°. In the seventh Mn site, Mn(7) is bonded to one O(14), one O(16), one O(17), one O(19), one O(23), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(11)O6 octahedra,  an edgeedge with one Mn(12)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, and  an edgeedge with one Mn(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-15°. In the eighth Mn site, Mn(8) is bonded to one O(13), one O(15), one O(16), one O(19), one O(21), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Li(4)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,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(12)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)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 10-14°. In the ninth Mn site, Mn(9) is bonded to one O(1), one O(10), one O(14), one O(17), one O(18), and one O(20) atom to form distorted MnO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one 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(1)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(11)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 8-16°. In the tenth Mn site, Mn(10) is bonded to one O(13), one O(18), one O(20), one O(21), one O(22), and one O(3) atom to form MnO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(12)O6 octahedra,  an edgeedge with one Mn(2)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 11-15°. In the eleventh Mn site, Mn(11) is bonded to one O(1), one O(11), one O(14), one O(2), one O(23), and one O(24) atom to form distorted MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(12)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, and  an edgeedge with one Mn(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-20°. In the twelfth Mn site, Mn(12) is bonded to one O(16), one O(21), one O(22), one O(23), one O(24), and one O(5) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)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(10)O6 octahedra,  an edgeedge with one Mn(11)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, and  an edgeedge with one Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(11), 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(24)Li2Mn3 square pyramid,  a cornercorner with one O(4)Li2Mn3 square pyramid,  a cornercorner with one O(7)Li2Mn3 square pyramid, corners with two equivalent O(10)Li2Mn3 square pyramids,  an edgeedge with one O(20)Li2Mn3 square pyramid,  an edgeedge with one O(23)Li2Mn3 square pyramid,  an edgeedge with one O(3)Li2Mn3 square pyramid,  an edgeedge with one O(4)Li2Mn3 square pyramid,  an edgeedge with one O(17)LiMn3 trigonal pyramid, and  an edgeedge with one O(18)LiMn3 trigonal pyramid. In the second O site, O(2) is bonded in a see-saw-like geometry to one Li(1), one Mn(1), one Mn(11), and one Mn(3) atom. In the third O site, O(3) is bonded to one Li(2), one Li(4), one Mn(1), one Mn(10), and one Mn(2) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(4)Li2Mn3 square pyramid,  a cornercorner with one O(18)LiMn3 trigonal pyramid,  an edgeedge with one O(1)Li2Mn3 square pyramid,  an edgeedge with one O(10)Li2Mn3 square pyramid,  an edgeedge with one O(20)Li2Mn3 square pyramid,  an edgeedge with one O(4)Li2Mn3 square pyramid, and  an edgeedge with one O(18)LiMn3 trigonal pyramid. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(2), and one Mn(5) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(1)Li2Mn3 square pyramid,  a cornercorner with one O(20)Li2Mn3 square pyramid,  a cornercorner with one O(23)Li2Mn3 square pyramid,  a cornercorner with one O(3)Li2Mn3 square pyramid,  a cornercorner with one O(18)LiMn3 trigonal pyramid, corners with two equivalent O(17)LiMn3 trigonal pyramids,  an edgeedge with one O(1)Li2Mn3 square pyramid,  an edgeedge with one O(10)Li2Mn3 square pyramid,  an edgeedge with one O(3)Li2Mn3 square pyramid, and  an edgeedge with one O(7)Li2Mn3 square pyramid. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Mn(12), one Mn(2), and one Mn(4) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(2), one Li(6), one Mn(2), one Mn(4), and one Mn(6) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Mn(3), one Mn(5), and one Mn(7) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(1)Li2Mn3 square pyramid,  a cornercorner with one O(10)Li2Mn3 square pyramid,  a cornercorner with one O(23)Li2Mn3 square pyramid, corners with two equivalent O(11)Li2Mn3 square pyramids,  a cornercorner with one O(17)LiMn3 trigonal pyramid,  an edgeedge with one O(16)Li2Mn3 square pyramid,  an edgeedge with one O(23)Li2Mn3 square pyramid,  an edgeedge with one O(4)Li2Mn3 square pyramid, and  an edgeedge with one O(17)LiMn3 trigonal pyramid. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), one Mn(3), one Mn(4), and one Mn(8) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Mn(1), one Mn(3), and one Mn(5) atom. In the tenth O site, O(10) is bonded to one Li(2), one Li(4), one Mn(5), one Mn(6), and one Mn(9) 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(7)Li2Mn3 square pyramid, corners with two equivalent O(1)Li2Mn3 square pyramids,  an edgeedge with one O(20)Li2Mn3 square pyramid,  an edgeedge with one O(3)Li2Mn3 square pyramid,  an edgeedge with one O(4)Li2Mn3 square pyramid,  an edgeedge with one O(17)LiMn3 trigonal pyramid, and  an edgeedge with one O(18)LiMn3 trigonal pyramid. In the eleventh O site, O(11) is bonded to one Li(3), one Li(5), one Mn(11), one Mn(3), and one Mn(4) atom to form a mixture of corner and edge-sharing OLi2Mn3 square pyramids. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(4), one Mn(2), one Mn(5), and one Mn(6) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Mn(10), one Mn(6), and one Mn(8) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Li(5), one Mn(11), one Mn(7), and one Mn(9) atom. In the fifteenth O site, O(15) is bonded to one Li(5), one Li(6), one Mn(4), one Mn(6), and one Mn(8) atom to form a mixture of corner and edge-sharing OLi2Mn3 square pyramids. In the sixteenth O site, O(16) is bonded to one Li(3), one Li(5), one Mn(12), one Mn(7), and one Mn(8) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(23)Li2Mn3 square pyramid, corners with two equivalent O(15)Li2Mn3 square pyramids,  a cornercorner with one O(17)LiMn3 trigonal pyramid,  an edgeedge with one O(11)Li2Mn3 square pyramid,  an edgeedge with one O(23)Li2Mn3 square pyramid,  an edgeedge with one O(24)Li2Mn3 square pyramid, and  an edgeedge with one O(7)Li2Mn3 square pyramid. In the seventeenth O site, O(17) is bonded to one Li(1), one Mn(5), one Mn(7), and one Mn(9) atom to form OLiMn3 trigonal pyramids that share  a cornercorner with one O(16)Li2Mn3 square pyramid,  a cornercorner with one O(20)Li2Mn3 square pyramid,  a cornercorner with one O(7)Li2Mn3 square pyramid, corners with two equivalent O(4)Li2Mn3 square pyramids,  a cornercorner with one O(18)LiMn3 trigonal pyramid,  an edgeedge with one O(1)Li2Mn3 square pyramid,  an edgeedge with one O(10)Li2Mn3 square pyramid,  an edgeedge with one O(23)Li2Mn3 square pyramid, and  an edgeedge with one O(7)Li2Mn3 square pyramid. In the eighteenth O site, O(18) is bonded to one Li(4), one Mn(1), one Mn(10), and one Mn(9) atom to form OLiMn3 trigonal pyramids that share  a cornercorner with one O(3)Li2Mn3 square pyramid,  a cornercorner with one O(4)Li2Mn3 square pyramid,  a cornercorner with one O(17)LiMn3 trigonal pyramid,  an edgeedge with one O(1)Li2Mn3 square pyramid,  an edgeedge with one O(10)Li2Mn3 square pyramid,  an edgeedge with one O(20)Li2Mn3 square pyramid, and  an edgeedge with one O(3)Li2Mn3 square pyramid. In the nineteenth O site, O(19) is bonded in a rectangular see-saw-like geometry to one Li(5), one Mn(3), one Mn(7), and one Mn(8) atom. In the twentieth O site, O(20) is bonded to one Li(2), one Li(6), one Mn(10), one Mn(6), 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(24)Li2Mn3 square pyramid,  a cornercorner with one O(4)Li2Mn3 square pyramid,  a cornercorner with one O(17)LiMn3 trigonal pyramid,  an edgeedge with one O(1)Li2Mn3 square pyramid,  an edgeedge with one O(10)Li2Mn3 square pyramid,  an edgeedge with one O(15)Li2Mn3 square pyramid,  an edgeedge with one O(3)Li2Mn3 square pyramid, and  an edgeedge with one O(18)LiMn3 trigonal pyramid. In the twenty-first O site, O(21) is bonded in a rectangular see-saw-like geometry to one Li(6), one Mn(10), one Mn(12), and one Mn(8) atom. In the twenty-second O site, O(22) is bonded in a rectangular see-saw-like geometry to one Li(6), one Mn(10), one Mn(12), and one Mn(2) atom. In the twenty-third O site, O(23) is bonded to one Li(1), one Li(3), one Mn(11), one Mn(12), and one Mn(7) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(16)Li2Mn3 square pyramid,  a cornercorner with one O(4)Li2Mn3 square pyramid,  a cornercorner with one O(7)Li2Mn3 square pyramid,  an edgeedge with one O(1)Li2Mn3 square pyramid,  an edgeedge with one O(11)Li2Mn3 square pyramid,  an edgeedge with one O(16)Li2Mn3 square pyramid,  an edgeedge with one O(24)Li2Mn3 square pyramid,  an edgeedge with one O(7)Li2Mn3 square pyramid, and  an edgeedge with one O(17)LiMn3 trigonal pyramid. In the twenty-fourth O site, O(24) is bonded to one Li(5), one Li(6), one Mn(11), one Mn(12), and one Mn(4) atom to form a mixture of corner and edge-sharing OLi2Mn3 square pyramids.
LiMn2O4 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(17), one O(2), one O(23), one O(4), and one O(7) atom to form distorted LiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(11)O6 octahedra,  a cornercorner with one Mn(12)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(11)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, and  an edgeedge with one Mn(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-26°. The Li(1)-O(1) bond length is 2.40 Å. The Li(1)-O(17) bond length is 2.04 Å. The Li(1)-O(2) bond length is 2.07 Å. The Li(1)-O(23) bond length is 2.51 Å. The Li(1)-O(4) bond length is 2.10 Å. The Li(1)-O(7) bond length is 2.47 Å. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(20), one O(3), one O(4), and one O(6) atom. The Li(2)-O(1) bond length is 2.09 Å. The Li(2)-O(10) bond length is 2.17 Å. The Li(2)-O(20) bond length is 2.19 Å. The Li(2)-O(3) bond length is 2.21 Å. The Li(2)-O(4) bond length is 2.15 Å. The Li(2)-O(6) bond length is 2.62 Å. In the third Li site, Li(3) is bonded to one O(11), one O(16), one O(23), one O(5), one O(7), and one O(8) atom to form distorted LiO6 octahedra that share  a cornercorner with one Mn(12)O6 octahedra,  a cornercorner with one Mn(2)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(7)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(11)O6 octahedra,  an edgeedge with one Mn(12)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, and  an edgeedge with one Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-18°. The Li(3)-O(11) bond length is 2.36 Å. The Li(3)-O(16) bond length is 2.27 Å. The Li(3)-O(23) bond length is 2.18 Å. The Li(3)-O(5) bond length is 2.04 Å. The Li(3)-O(7) bond length is 2.22 Å. The Li(3)-O(8) bond length is 2.09 Å. In the fourth Li site, Li(4) is bonded to one O(10), one O(12), one O(13), one O(18), one O(3), and one O(9) atom to form distorted LiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(10)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(5)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(8)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(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, and  an edgeedge with one Mn(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-23°. The Li(4)-O(10) bond length is 2.30 Å. The Li(4)-O(12) bond length is 2.06 Å. The Li(4)-O(13) bond length is 2.55 Å. The Li(4)-O(18) bond length is 2.05 Å. The Li(4)-O(3) bond length is 2.33 Å. The Li(4)-O(9) bond length is 2.10 Å. In the fifth Li site, Li(5) is bonded to one O(11), one O(14), one O(15), one O(16), one O(19), and one O(24) atom to form LiO6 octahedra that share  a cornercorner with one Mn(11)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(7)O6 octahedra,  a cornercorner with one Mn(8)O6 octahedra,  a cornercorner with one Mn(9)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(11)O6 octahedra,  an edgeedge with one Mn(12)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, and  an edgeedge with one Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-16°. The Li(5)-O(11) bond length is 2.28 Å. The Li(5)-O(14) bond length is 2.07 Å. The Li(5)-O(15) bond length is 2.13 Å. The Li(5)-O(16) bond length is 2.32 Å. The Li(5)-O(19) bond length is 2.11 Å. The Li(5)-O(24) bond length is 2.21 Å. In the sixth Li site, Li(6) is bonded to one O(15), one O(20), one O(21), one O(22), one O(24), and one O(6) atom to form LiO6 octahedra that share  a cornercorner with one Mn(10)O6 octahedra,  a cornercorner with one Mn(11)O6 octahedra,  a cornercorner with one Mn(12)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra,  a cornercorner with one Mn(6)O6 octahedra,  a cornercorner with one Mn(9)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(12)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, and  an edgeedge with one Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-15°. The Li(6)-O(15) bond length is 2.30 Å. The Li(6)-O(20) bond length is 2.10 Å. The Li(6)-O(21) bond length is 2.23 Å. The Li(6)-O(22) bond length is 2.23 Å. The Li(6)-O(24) bond length is 2.09 Å. The Li(6)-O(6) bond length is 2.20 Å. There are twelve inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(18), one O(2), one O(3), one O(4), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(11)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, and  an edgeedge with one Mn(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-23°. The Mn(1)-O(1) bond length is 1.95 Å. The Mn(1)-O(18) bond length is 2.03 Å. The Mn(1)-O(2) bond length is 1.95 Å. The Mn(1)-O(3) bond length is 1.98 Å. The Mn(1)-O(4) bond length is 1.94 Å. The Mn(1)-O(9) bond length is 1.90 Å. In the second Mn site, Mn(2) is bonded to one O(12), one O(22), one O(3), one O(4), one O(5), and one O(6) atom to form distorted MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(12)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra, and  an edgeedge with one Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-18°. The Mn(2)-O(12) bond length is 1.91 Å. The Mn(2)-O(22) bond length is 1.97 Å. The Mn(2)-O(3) bond length is 1.97 Å. The Mn(2)-O(4) bond length is 2.33 Å. The Mn(2)-O(5) bond length is 2.25 Å. The Mn(2)-O(6) bond length is 1.96 Å. In the third Mn site, Mn(3) is bonded to one O(11), one O(19), one O(2), one O(7), one O(8), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(11)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, and  an edgeedge with one Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-17°. The Mn(3)-O(11) bond length is 1.97 Å. The Mn(3)-O(19) bond length is 1.97 Å. The Mn(3)-O(2) bond length is 1.99 Å. The Mn(3)-O(7) bond length is 1.92 Å. The Mn(3)-O(8) bond length is 2.26 Å. The Mn(3)-O(9) bond length is 2.23 Å. In the fourth Mn site, Mn(4) is bonded to one O(11), one O(15), one O(24), one O(5), one O(6), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)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(11)O6 octahedra,  an edgeedge with one Mn(12)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, and  an edgeedge with one Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. The Mn(4)-O(11) bond length is 1.97 Å. The Mn(4)-O(15) bond length is 1.95 Å. The Mn(4)-O(24) bond length is 1.95 Å. The Mn(4)-O(5) bond length is 1.93 Å. The Mn(4)-O(6) bond length is 1.95 Å. The Mn(4)-O(8) bond length is 1.93 Å. In the fifth Mn site, Mn(5) is bonded to one O(10), one O(12), one O(17), one O(4), one O(7), and one O(9) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, and  an edgeedge with one Mn(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-26°. The Mn(5)-O(10) bond length is 1.96 Å. The Mn(5)-O(12) bond length is 2.17 Å. The Mn(5)-O(17) bond length is 2.04 Å. The Mn(5)-O(4) bond length is 1.98 Å. The Mn(5)-O(7) bond length is 2.26 Å. The Mn(5)-O(9) bond length is 1.94 Å. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(12), one O(13), one O(15), one O(20), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)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,  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 13-14°. The Mn(6)-O(10) bond length is 2.20 Å. The Mn(6)-O(12) bond length is 1.93 Å. The Mn(6)-O(13) bond length is 1.99 Å. The Mn(6)-O(15) bond length is 2.24 Å. The Mn(6)-O(20) bond length is 1.98 Å. The Mn(6)-O(6) bond length is 2.01 Å. In the seventh Mn site, Mn(7) is bonded to one O(14), one O(16), one O(17), one O(19), one O(23), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(11)O6 octahedra,  an edgeedge with one Mn(12)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, and  an edgeedge with one Mn(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-15°. The Mn(7)-O(14) bond length is 1.91 Å. The Mn(7)-O(16) bond length is 1.98 Å. The Mn(7)-O(17) bond length is 1.93 Å. The Mn(7)-O(19) bond length is 1.99 Å. The Mn(7)-O(23) bond length is 1.98 Å. The Mn(7)-O(7) bond length is 1.92 Å. In the eighth Mn site, Mn(8) is bonded to one O(13), one O(15), one O(16), one O(19), one O(21), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Li(4)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,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(12)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)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 10-14°. The Mn(8)-O(13) bond length is 1.97 Å. The Mn(8)-O(15) bond length is 1.90 Å. The Mn(8)-O(16) bond length is 1.97 Å. The Mn(8)-O(19) bond length is 1.96 Å. The Mn(8)-O(21) bond length is 1.97 Å. The Mn(8)-O(8) bond length is 1.89 Å. In the ninth Mn site, Mn(9) is bonded to one O(1), one O(10), one O(14), one O(17), one O(18), and one O(20) atom to form distorted MnO6 octahedra that share  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one 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(1)O6 octahedra,  an edgeedge with one Mn(10)O6 octahedra,  an edgeedge with one Mn(11)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 8-16°. The Mn(9)-O(1) bond length is 1.93 Å. The Mn(9)-O(10) bond length is 1.94 Å. The Mn(9)-O(14) bond length is 2.27 Å. The Mn(9)-O(17) bond length is 1.99 Å. The Mn(9)-O(18) bond length is 1.97 Å. The Mn(9)-O(20) bond length is 2.43 Å. In the tenth Mn site, Mn(10) is bonded to one O(13), one O(18), one O(20), one O(21), one O(22), and one O(3) atom to form MnO6 octahedra that share  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(12)O6 octahedra,  an edgeedge with one Mn(2)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 11-15°. The Mn(10)-O(13) bond length is 1.92 Å. The Mn(10)-O(18) bond length is 1.96 Å. The Mn(10)-O(20) bond length is 1.90 Å. The Mn(10)-O(21) bond length is 1.98 Å. The Mn(10)-O(22) bond length is 1.97 Å. The Mn(10)-O(3) bond length is 1.99 Å. In the eleventh Mn site, Mn(11) is bonded to one O(1), one O(11), one O(14), one O(2), one O(23), and one O(24) atom to form distorted MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(12)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, and  an edgeedge with one Mn(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-20°. The Mn(11)-O(1) bond length is 2.23 Å. The Mn(11)-O(11) bond length is 1.97 Å. The Mn(11)-O(14) bond length is 1.92 Å. The Mn(11)-O(2) bond length is 1.99 Å. The Mn(11)-O(23) bond length is 1.99 Å. The Mn(11)-O(24) bond length is 2.28 Å. In the twelfth Mn site, Mn(12) is bonded to one O(16), one O(21), one O(22), one O(23), one O(24), and one O(5) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)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(10)O6 octahedra,  an edgeedge with one Mn(11)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, and  an edgeedge with one Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-14°. The Mn(12)-O(16) bond length is 1.99 Å. The Mn(12)-O(21) bond length is 1.96 Å. The Mn(12)-O(22) bond length is 1.93 Å. The Mn(12)-O(23) bond length is 1.99 Å. The Mn(12)-O(24) bond length is 1.92 Å. The Mn(12)-O(5) bond length is 1.89 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(11), 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(24)Li2Mn3 square pyramid,  a cornercorner with one O(4)Li2Mn3 square pyramid,  a cornercorner with one O(7)Li2Mn3 square pyramid, corners with two equivalent O(10)Li2Mn3 square pyramids,  an edgeedge with one O(20)Li2Mn3 square pyramid,  an edgeedge with one O(23)Li2Mn3 square pyramid,  an edgeedge with one O(3)Li2Mn3 square pyramid,  an edgeedge with one O(4)Li2Mn3 square pyramid,  an edgeedge with one O(17)LiMn3 trigonal pyramid, and  an edgeedge with one O(18)LiMn3 trigonal pyramid. In the second O site, O(2) is bonded in a see-saw-like geometry to one Li(1), one Mn(1), one Mn(11), and one Mn(3) atom. In the third O site, O(3) is bonded to one Li(2), one Li(4), one Mn(1), one Mn(10), and one Mn(2) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(4)Li2Mn3 square pyramid,  a cornercorner with one O(18)LiMn3 trigonal pyramid,  an edgeedge with one O(1)Li2Mn3 square pyramid,  an edgeedge with one O(10)Li2Mn3 square pyramid,  an edgeedge with one O(20)Li2Mn3 square pyramid,  an edgeedge with one O(4)Li2Mn3 square pyramid, and  an edgeedge with one O(18)LiMn3 trigonal pyramid. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(2), and one Mn(5) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(1)Li2Mn3 square pyramid,  a cornercorner with one O(20)Li2Mn3 square pyramid,  a cornercorner with one O(23)Li2Mn3 square pyramid,  a cornercorner with one O(3)Li2Mn3 square pyramid,  a cornercorner with one O(18)LiMn3 trigonal pyramid, corners with two equivalent O(17)LiMn3 trigonal pyramids,  an edgeedge with one O(1)Li2Mn3 square pyramid,  an edgeedge with one O(10)Li2Mn3 square pyramid,  an edgeedge with one O(3)Li2Mn3 square pyramid, and  an edgeedge with one O(7)Li2Mn3 square pyramid. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Mn(12), one Mn(2), and one Mn(4) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(2), one Li(6), one Mn(2), one Mn(4), and one Mn(6) atom. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Mn(3), one Mn(5), and one Mn(7) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(1)Li2Mn3 square pyramid,  a cornercorner with one O(10)Li2Mn3 square pyramid,  a cornercorner with one O(23)Li2Mn3 square pyramid, corners with two equivalent O(11)Li2Mn3 square pyramids,  a cornercorner with one O(17)LiMn3 trigonal pyramid,  an edgeedge with one O(16)Li2Mn3 square pyramid,  an edgeedge with one O(23)Li2Mn3 square pyramid,  an edgeedge with one O(4)Li2Mn3 square pyramid, and  an edgeedge with one O(17)LiMn3 trigonal pyramid. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), one Mn(3), one Mn(4), and one Mn(8) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Mn(1), one Mn(3), and one Mn(5) atom. In the tenth O site, O(10) is bonded to one Li(2), one Li(4), one Mn(5), one Mn(6), and one Mn(9) 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(7)Li2Mn3 square pyramid, corners with two equivalent O(1)Li2Mn3 square pyramids,  an edgeedge with one O(20)Li2Mn3 square pyramid,  an edgeedge with one O(3)Li2Mn3 square pyramid,  an edgeedge with one O(4)Li2Mn3 square pyramid,  an edgeedge with one O(17)LiMn3 trigonal pyramid, and  an edgeedge with one O(18)LiMn3 trigonal pyramid. In the eleventh O site, O(11) is bonded to one Li(3), one Li(5), one Mn(11), one Mn(3), and one Mn(4) atom to form a mixture of corner and edge-sharing OLi2Mn3 square pyramids. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(4), one Mn(2), one Mn(5), and one Mn(6) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Mn(10), one Mn(6), and one Mn(8) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Li(5), one Mn(11), one Mn(7), and one Mn(9) atom. In the fifteenth O site, O(15) is bonded to one Li(5), one Li(6), one Mn(4), one Mn(6), and one Mn(8) atom to form a mixture of corner and edge-sharing OLi2Mn3 square pyramids. In the sixteenth O site, O(16) is bonded to one Li(3), one Li(5), one Mn(12), one Mn(7), and one Mn(8) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(23)Li2Mn3 square pyramid, corners with two equivalent O(15)Li2Mn3 square pyramids,  a cornercorner with one O(17)LiMn3 trigonal pyramid,  an edgeedge with one O(11)Li2Mn3 square pyramid,  an edgeedge with one O(23)Li2Mn3 square pyramid,  an edgeedge with one O(24)Li2Mn3 square pyramid, and  an edgeedge with one O(7)Li2Mn3 square pyramid. In the seventeenth O site, O(17) is bonded to one Li(1), one Mn(5), one Mn(7), and one Mn(9) atom to form OLiMn3 trigonal pyramids that share  a cornercorner with one O(16)Li2Mn3 square pyramid,  a cornercorner with one O(20)Li2Mn3 square pyramid,  a cornercorner with one O(7)Li2Mn3 square pyramid, corners with two equivalent O(4)Li2Mn3 square pyramids,  a cornercorner with one O(18)LiMn3 trigonal pyramid,  an edgeedge with one O(1)Li2Mn3 square pyramid,  an edgeedge with one O(10)Li2Mn3 square pyramid,  an edgeedge with one O(23)Li2Mn3 square pyramid, and  an edgeedge with one O(7)Li2Mn3 square pyramid. In the eighteenth O site, O(18) is bonded to one Li(4), one Mn(1), one Mn(10), and one Mn(9) atom to form OLiMn3 trigonal pyramids that share  a cornercorner with one O(3)Li2Mn3 square pyramid,  a cornercorner with one O(4)Li2Mn3 square pyramid,  a cornercorner with one O(17)LiMn3 trigonal pyramid,  an edgeedge with one O(1)Li2Mn3 square pyramid,  an edgeedge with one O(10)Li2Mn3 square pyramid,  an edgeedge with one O(20)Li2Mn3 square pyramid, and  an edgeedge with one O(3)Li2Mn3 square pyramid. In the nineteenth O site, O(19) is bonded in a rectangular see-saw-like geometry to one Li(5), one Mn(3), one Mn(7), and one Mn(8) atom. In the twentieth O site, O(20) is bonded to one Li(2), one Li(6), one Mn(10), one Mn(6), 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(24)Li2Mn3 square pyramid,  a cornercorner with one O(4)Li2Mn3 square pyramid,  a cornercorner with one O(17)LiMn3 trigonal pyramid,  an edgeedge with one O(1)Li2Mn3 square pyramid,  an edgeedge with one O(10)Li2Mn3 square pyramid,  an edgeedge with one O(15)Li2Mn3 square pyramid,  an edgeedge with one O(3)Li2Mn3 square pyramid, and  an edgeedge with one O(18)LiMn3 trigonal pyramid. In the twenty-first O site, O(21) is bonded in a rectangular see-saw-like geometry to one Li(6), one Mn(10), one Mn(12), and one Mn(8) atom. In the twenty-second O site, O(22) is bonded in a rectangular see-saw-like geometry to one Li(6), one Mn(10), one Mn(12), and one Mn(2) atom. In the twenty-third O site, O(23) is bonded to one Li(1), one Li(3), one Mn(11), one Mn(12), and one Mn(7) atom to form OLi2Mn3 square pyramids that share  a cornercorner with one O(16)Li2Mn3 square pyramid,  a cornercorner with one O(4)Li2Mn3 square pyramid,  a cornercorner with one O(7)Li2Mn3 square pyramid,  an edgeedge with one O(1)Li2Mn3 square pyramid,  an edgeedge with one O(11)Li2Mn3 square pyramid,  an edgeedge with one O(16)Li2Mn3 square pyramid,  an edgeedge with one O(24)Li2Mn3 square pyramid,  an edgeedge with one O(7)Li2Mn3 square pyramid, and  an edgeedge with one O(17)LiMn3 trigonal pyramid. In the twenty-fourth O site, O(24) is bonded to one Li(5), one Li(6), one Mn(11), one Mn(12), and one Mn(4) atom to form a mixture of corner and edge-sharing OLi2Mn3 square pyramids.