Li7Mn5O12 crystallizes in the triclinic P-1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to two O(2,2); two O(4,4); and two O(6,6) atoms to form LiO6 octahedra that share corners with two Li(3,3)O6 octahedra; corners with four Mn(3,3)O6 octahedra; edges with two Li(4,4)O6 octahedra; edges with two Mn(1,1)O6 octahedra; edges with two Mn(2,2)O6 octahedra; edges with two Mn(3,3)O6 octahedra; and edges with four Li(5,5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. In the second Li site, Li(2) is bonded to two O(1,1); two O(3,3); and two O(5,5) atoms to form LiO6 octahedra that share corners with two Mn(1,1)O6 octahedra; corners with four Mn(2,2)O6 octahedra; edges with two Li(3,3)O6 octahedra; edges with two Li(5,5)O6 octahedra; edges with two Mn(2,2)O6 octahedra; edges with two Mn(3,3)O6 octahedra; and edges with four Li(4,4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra; corners with four Li(4,4)O6 octahedra; edges with two equivalent Li(2)O6 octahedra; edges with two equivalent Li(4)O6 octahedra; edges with two equivalent Li(5)O6 octahedra; edges with two equivalent Mn(3)O6 octahedra; and edges with four Mn(2,2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-15°. In the fourth Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra; corners with four Li(4,4)O6 octahedra; edges with two equivalent Li(2)O6 octahedra; edges with two equivalent Li(4)O6 octahedra; edges with two equivalent Li(5)O6 octahedra; edges with two equivalent Mn(3)O6 octahedra; and edges with four Mn(2,2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-16°. In the fifth Li site, Li(4) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two Li(3,3)O6 octahedra; corners with four Mn(3,3)O6 octahedra;  an edgeedge with one Li(1)O6 octahedra;  an edgeedge with one Li(3)O6 octahedra;  an edgeedge with one Li(4)O6 octahedra;  an edgeedge with one Mn(1)O6 octahedra;  an edgeedge with one Mn(3)O6 octahedra; edges with two equivalent Li(2)O6 octahedra; edges with two Li(5,5)O6 octahedra; and edges with three Mn(2,2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-15°. In the sixth Li site, Li(4) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two Li(3,3)O6 octahedra; corners with four Mn(3,3)O6 octahedra;  an edgeedge with one Li(1)O6 octahedra;  an edgeedge with one Li(3)O6 octahedra;  an edgeedge with one Li(4)O6 octahedra;  an edgeedge with one Mn(1)O6 octahedra;  an edgeedge with one Mn(3)O6 octahedra; edges with two equivalent Li(2)O6 octahedra; edges with two Li(5,5)O6 octahedra; and edges with three Mn(2,2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-16°. In the seventh Li site, Li(5) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with two Mn(1,1)O6 octahedra; corners with four Mn(2,2)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 Mn(1)O6 octahedra;  an edgeedge with one Mn(2)O6 octahedra; edges with two equivalent Li(1)O6 octahedra; edges with two Li(4,4)O6 octahedra; and edges with three Mn(3,3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the eighth Li site, Li(5) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with two Mn(1,1)O6 octahedra; corners with four Mn(2,2)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 Mn(1)O6 octahedra;  an edgeedge with one Mn(2)O6 octahedra; edges with two equivalent Li(1)O6 octahedra; edges with two Li(4,4)O6 octahedra; and edges with three Mn(3,3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Li(2)O6 octahedra; corners with four Li(5,5)O6 octahedra; 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; and edges with four Mn(3,3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. In the second Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Li(2)O6 octahedra; corners with four Li(5,5)O6 octahedra; 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; and edges with four Mn(3,3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the third Mn site, Mn(2) is bonded to one O(2); one O(3); one O(4); one O(5); and two O(1,1) atoms to form MnO6 octahedra that share corners with two equivalent Li(2)O6 octahedra; corners with four Li(5,5)O6 octahedra;  an edgeedge with one Li(1)O6 octahedra;  an edgeedge with one Li(2)O6 octahedra;  an edgeedge with one Li(5)O6 octahedra;  an edgeedge with one Mn(1)O6 octahedra;  an edgeedge with one Mn(2)O6 octahedra; edges with two Li(3,3)O6 octahedra; edges with two Mn(3,3)O6 octahedra; and edges with three Li(4,4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the fourth Mn site, Mn(2) is bonded to one O(2); one O(3); one O(4); one O(5); and two O(1,1) atoms to form MnO6 octahedra that share corners with two equivalent Li(2)O6 octahedra; corners with four Li(5,5)O6 octahedra;  an edgeedge with one Li(1)O6 octahedra;  an edgeedge with one Li(2)O6 octahedra;  an edgeedge with one Li(5)O6 octahedra;  an edgeedge with one Mn(1)O6 octahedra;  an edgeedge with one Mn(2)O6 octahedra; edges with two Li(3,3)O6 octahedra; edges with two Mn(3,3)O6 octahedra; and edges with three Li(4,4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the fifth Mn site, Mn(3) is bonded to one O(2); one O(3); one O(4); one O(5); and two O(6,6) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra; corners with four Li(4,4)O6 octahedra;  an edgeedge with one Li(1)O6 octahedra;  an edgeedge with one Li(2)O6 octahedra;  an edgeedge with one Li(3)O6 octahedra;  an edgeedge with one Li(4)O6 octahedra;  an edgeedge with one Mn(3)O6 octahedra; edges with two Mn(1,1)O6 octahedra; edges with two Mn(2,2)O6 octahedra; and edges with three Li(5,5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. In the sixth Mn site, Mn(3) is bonded to one O(2); one O(3); one O(4); one O(5); and two O(6,6) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra; corners with four Li(4,4)O6 octahedra;  an edgeedge with one Li(1)O6 octahedra;  an edgeedge with one Li(2)O6 octahedra;  an edgeedge with one Li(3)O6 octahedra;  an edgeedge with one Li(4)O6 octahedra;  an edgeedge with one Mn(3)O6 octahedra; edges with two Mn(1,1)O6 octahedra; edges with two Mn(2,2)O6 octahedra; and edges with three Li(5,5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(2); one Li(3); one Li(4); one Li(5); and two Mn(2,2) atoms to form OLi4Mn2 octahedra that share corners with two O(2,2)Li3Mn3 octahedra; corners with two O(5,5)Li3Mn3 octahedra; corners with two O(1,1)Li4Mn2 octahedra;  an edgeedge with one O(2)Li3Mn3 octahedra;  an edgeedge with one O(6)Li3Mn3 octahedra;  an edgeedge with one O(1)Li4Mn2 octahedra; edges with two O(5,5)Li3Mn3 octahedra; edges with three O(4,4)Li4Mn2 octahedra; and edges with four O(3,3)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second O site, O(1) is bonded to one Li(2); one Li(3); one Li(4); one Li(5); and two Mn(2,2) atoms to form OLi4Mn2 octahedra that share corners with two O(2,2)Li3Mn3 octahedra; corners with two O(5,5)Li3Mn3 octahedra; corners with two O(1,1)Li4Mn2 octahedra;  an edgeedge with one O(2)Li3Mn3 octahedra;  an edgeedge with one O(6)Li3Mn3 octahedra;  an edgeedge with one O(1)Li4Mn2 octahedra; edges with two O(5,5)Li3Mn3 octahedra; edges with three O(4,4)Li4Mn2 octahedra; and edges with four O(3,3)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third O site, O(2) is bonded to one Li(1), two equivalent Li(5), one Mn(1), one Mn(2), and one Mn(3) atom to form OLi3Mn3 octahedra that share corners with two O(2,2)Li3Mn3 octahedra; corners with two O(5,5)Li3Mn3 octahedra; corners with two O(1,1)Li4Mn2 octahedra;  an edgeedge with one O(2)Li3Mn3 octahedra;  an edgeedge with one O(1)Li4Mn2 octahedra;  an edgeedge with one O(3)Li4Mn2 octahedra; edges with two equivalent O(5)Li3Mn3 octahedra; edges with three O(4,4)Li4Mn2 octahedra; and edges with four O(6,6)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fourth O site, O(2) is bonded to one Li(1), two equivalent Li(5), one Mn(1), one Mn(2), and one Mn(3) atom to form OLi3Mn3 octahedra that share corners with two O(2,2)Li3Mn3 octahedra; corners with two O(5,5)Li3Mn3 octahedra; corners with two O(1,1)Li4Mn2 octahedra;  an edgeedge with one O(2)Li3Mn3 octahedra;  an edgeedge with one O(1)Li4Mn2 octahedra;  an edgeedge with one O(3)Li4Mn2 octahedra; edges with two equivalent O(5)Li3Mn3 octahedra; edges with three O(4,4)Li4Mn2 octahedra; and edges with four O(6,6)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fifth O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(4), one Mn(2), and one Mn(3) atom to form distorted OLi4Mn2 octahedra that share corners with two O(6,6)Li3Mn3 octahedra; corners with two O(3,3)Li4Mn2 octahedra; corners with two O(4,4)Li4Mn2 octahedra;  an edgeedge with one O(2)Li3Mn3 octahedra;  an edgeedge with one O(6)Li3Mn3 octahedra;  an edgeedge with one O(3)Li4Mn2 octahedra; edges with two equivalent O(4)Li4Mn2 octahedra; edges with three O(5,5)Li3Mn3 octahedra; and edges with four O(1,1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the sixth O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(4), one Mn(2), and one Mn(3) atom to form distorted OLi4Mn2 octahedra that share corners with two O(6,6)Li3Mn3 octahedra; corners with two O(3,3)Li4Mn2 octahedra; corners with two O(4,4)Li4Mn2 octahedra;  an edgeedge with one O(2)Li3Mn3 octahedra;  an edgeedge with one O(6)Li3Mn3 octahedra;  an edgeedge with one O(3)Li4Mn2 octahedra; edges with two equivalent O(4)Li4Mn2 octahedra; edges with three O(5,5)Li3Mn3 octahedra; and edges with four O(1,1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the seventh O site, O(4) is bonded to one Li(1), one Li(3), one Li(4), one Li(5), one Mn(2), and one Mn(3) atom to form distorted OLi4Mn2 octahedra that share corners with two O(6,6)Li3Mn3 octahedra; corners with two O(3,3)Li4Mn2 octahedra; corners with two O(4,4)Li4Mn2 octahedra; edges with two O(5,5)Li3Mn3 octahedra; edges with two O(6,6)Li3Mn3 octahedra; edges with two equivalent O(3)Li4Mn2 octahedra; edges with three O(2,2)Li3Mn3 octahedra; and edges with three O(1,1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the eighth O site, O(4) is bonded to one Li(1), one Li(3), one Li(4), one Li(5), one Mn(2), and one Mn(3) atom to form distorted OLi4Mn2 octahedra that share corners with two O(6,6)Li3Mn3 octahedra; corners with two O(3,3)Li4Mn2 octahedra; corners with two O(4,4)Li4Mn2 octahedra; edges with two O(5,5)Li3Mn3 octahedra; edges with two O(6,6)Li3Mn3 octahedra; edges with two equivalent O(3)Li4Mn2 octahedra; edges with three O(2,2)Li3Mn3 octahedra; and edges with three O(1,1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the ninth O site, O(5) is bonded to one Li(2), one Li(4), one Li(5), one Mn(1), one Mn(2), and one Mn(3) atom to form OLi3Mn3 octahedra that share corners with two O(2,2)Li3Mn3 octahedra; corners with two O(5,5)Li3Mn3 octahedra; corners with two O(1,1)Li4Mn2 octahedra; edges with two equivalent O(2)Li3Mn3 octahedra; edges with two O(1,1)Li4Mn2 octahedra; edges with two O(4,4)Li4Mn2 octahedra; edges with three O(6,6)Li3Mn3 octahedra; and edges with three O(3,3)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the tenth O site, O(5) is bonded to one Li(2), one Li(4), one Li(5), one Mn(1), one Mn(2), and one Mn(3) atom to form OLi3Mn3 octahedra that share corners with two O(2,2)Li3Mn3 octahedra; corners with two O(5,5)Li3Mn3 octahedra; corners with two O(1,1)Li4Mn2 octahedra; edges with two equivalent O(2)Li3Mn3 octahedra; edges with two O(1,1)Li4Mn2 octahedra; edges with two O(4,4)Li4Mn2 octahedra; edges with three O(6,6)Li3Mn3 octahedra; and edges with three O(3,3)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the eleventh O site, O(6) is bonded to one Li(1); one Li(4); one Li(5); one Mn(1); and two Mn(3,3) atoms to form OLi3Mn3 octahedra that share corners with two O(6,6)Li3Mn3 octahedra; corners with two O(3,3)Li4Mn2 octahedra; corners with two O(4,4)Li4Mn2 octahedra;  an edgeedge with one O(6)Li3Mn3 octahedra;  an edgeedge with one O(1)Li4Mn2 octahedra;  an edgeedge with one O(3)Li4Mn2 octahedra; edges with two O(4,4)Li4Mn2 octahedra; edges with three O(5,5)Li3Mn3 octahedra; and edges with four O(2,2)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the twelfth O site, O(6) is bonded to one Li(1); one Li(4); one Li(5); one Mn(1); and two Mn(3,3) atoms to form OLi3Mn3 octahedra that share corners with two O(6,6)Li3Mn3 octahedra; corners with two O(3,3)Li4Mn2 octahedra; corners with two O(4,4)Li4Mn2 octahedra;  an edgeedge with one O(6)Li3Mn3 octahedra;  an edgeedge with one O(1)Li4Mn2 octahedra;  an edgeedge with one O(3)Li4Mn2 octahedra; edges with two O(4,4)Li4Mn2 octahedra; edges with three O(5,5)Li3Mn3 octahedra; and edges with four O(2,2)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°.
Li7Mn5O12 crystallizes in the triclinic P-1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to two O(2,2); two O(4,4); and two O(6,6) atoms to form LiO6 octahedra that share corners with two Li(3,3)O6 octahedra; corners with four Mn(3,3)O6 octahedra; edges with two Li(4,4)O6 octahedra; edges with two Mn(1,1)O6 octahedra; edges with two Mn(2,2)O6 octahedra; edges with two Mn(3,3)O6 octahedra; and edges with four Li(5,5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. Both Li(1)-O(2,2) bond lengths are 2.17 Å. Both Li(1)-O(4,4) bond lengths are 2.07 Å. Both Li(1)-O(6,6) bond lengths are 2.12 Å. In the second Li site, Li(2) is bonded to two O(1,1); two O(3,3); and two O(5,5) atoms to form LiO6 octahedra that share corners with two Mn(1,1)O6 octahedra; corners with four Mn(2,2)O6 octahedra; edges with two Li(3,3)O6 octahedra; edges with two Li(5,5)O6 octahedra; edges with two Mn(2,2)O6 octahedra; edges with two Mn(3,3)O6 octahedra; and edges with four Li(4,4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. There is one shorter (2.13 Å) and one longer (2.14 Å) Li(2)-O(1,1) bond length. Both Li(2)-O(3,3) bond lengths are 2.46 Å. There is one shorter (2.09 Å) and one longer (2.10 Å) Li(2)-O(5,5) bond length. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra; corners with four Li(4,4)O6 octahedra; edges with two equivalent Li(2)O6 octahedra; edges with two equivalent Li(4)O6 octahedra; edges with two equivalent Li(5)O6 octahedra; edges with two equivalent Mn(3)O6 octahedra; and edges with four Mn(2,2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-15°. Both Li(3)-O(1) bond lengths are 2.29 Å. Both Li(3)-O(3) bond lengths are 2.04 Å. Both Li(3)-O(4) bond lengths are 2.05 Å. In the fourth Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra; corners with four Li(4,4)O6 octahedra; edges with two equivalent Li(2)O6 octahedra; edges with two equivalent Li(4)O6 octahedra; edges with two equivalent Li(5)O6 octahedra; edges with two equivalent Mn(3)O6 octahedra; and edges with four Mn(2,2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-16°. Both Li(3)-O(1) bond lengths are 2.29 Å. Both Li(3)-O(3) bond lengths are 2.05 Å. Both Li(3)-O(4) bond lengths are 2.04 Å. In the fifth Li site, Li(4) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two Li(3,3)O6 octahedra; corners with four Mn(3,3)O6 octahedra;  an edgeedge with one Li(1)O6 octahedra;  an edgeedge with one Li(3)O6 octahedra;  an edgeedge with one Li(4)O6 octahedra;  an edgeedge with one Mn(1)O6 octahedra;  an edgeedge with one Mn(3)O6 octahedra; edges with two equivalent Li(2)O6 octahedra; edges with two Li(5,5)O6 octahedra; and edges with three Mn(2,2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-15°. The Li(4)-O(1) bond length is 2.14 Å. The Li(4)-O(4) bond length is 2.10 Å. The Li(4)-O(5) bond length is 2.17 Å. The Li(4)-O(6) bond length is 2.21 Å. There is one shorter (2.08 Å) and one longer (2.11 Å) Li(4)-O(3) bond length. In the sixth Li site, Li(4) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two Li(3,3)O6 octahedra; corners with four Mn(3,3)O6 octahedra;  an edgeedge with one Li(1)O6 octahedra;  an edgeedge with one Li(3)O6 octahedra;  an edgeedge with one Li(4)O6 octahedra;  an edgeedge with one Mn(1)O6 octahedra;  an edgeedge with one Mn(3)O6 octahedra; edges with two equivalent Li(2)O6 octahedra; edges with two Li(5,5)O6 octahedra; and edges with three Mn(2,2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-16°. The Li(4)-O(1) bond length is 2.14 Å. The Li(4)-O(4) bond length is 2.10 Å. The Li(4)-O(5) bond length is 2.17 Å. The Li(4)-O(6) bond length is 2.21 Å. There is one shorter (2.08 Å) and one longer (2.11 Å) Li(4)-O(3) bond length. In the seventh Li site, Li(5) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with two Mn(1,1)O6 octahedra; corners with four Mn(2,2)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 Mn(1)O6 octahedra;  an edgeedge with one Mn(2)O6 octahedra; edges with two equivalent Li(1)O6 octahedra; edges with two Li(4,4)O6 octahedra; and edges with three Mn(3,3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. The Li(5)-O(1) bond length is 2.10 Å. The Li(5)-O(4) bond length is 2.57 Å. The Li(5)-O(5) bond length is 2.13 Å. The Li(5)-O(6) bond length is 2.10 Å. There is one shorter (2.11 Å) and one longer (2.19 Å) Li(5)-O(2) bond length. In the eighth Li site, Li(5) is bonded to one O(1), one O(4), one O(5), one O(6), and two equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with two Mn(1,1)O6 octahedra; corners with four Mn(2,2)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 Mn(1)O6 octahedra;  an edgeedge with one Mn(2)O6 octahedra; edges with two equivalent Li(1)O6 octahedra; edges with two Li(4,4)O6 octahedra; and edges with three Mn(3,3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. The Li(5)-O(1) bond length is 2.09 Å. The Li(5)-O(4) bond length is 2.57 Å. The Li(5)-O(5) bond length is 2.13 Å. The Li(5)-O(6) bond length is 2.11 Å. There is one shorter (2.10 Å) and one longer (2.19 Å) Li(5)-O(2) bond length. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Li(2)O6 octahedra; corners with four Li(5,5)O6 octahedra; 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; and edges with four Mn(3,3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. Both Mn(1)-O(2) bond lengths are 1.96 Å. Both Mn(1)-O(5) bond lengths are 1.99 Å. Both Mn(1)-O(6) bond lengths are 2.24 Å. In the second Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Li(2)O6 octahedra; corners with four Li(5,5)O6 octahedra; 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; and edges with four Mn(3,3)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. Both Mn(1)-O(2) bond lengths are 1.96 Å. Both Mn(1)-O(5) bond lengths are 1.99 Å. Both Mn(1)-O(6) bond lengths are 2.24 Å. In the third Mn site, Mn(2) is bonded to one O(2); one O(3); one O(4); one O(5); and two O(1,1) atoms to form MnO6 octahedra that share corners with two equivalent Li(2)O6 octahedra; corners with four Li(5,5)O6 octahedra;  an edgeedge with one Li(1)O6 octahedra;  an edgeedge with one Li(2)O6 octahedra;  an edgeedge with one Li(5)O6 octahedra;  an edgeedge with one Mn(1)O6 octahedra;  an edgeedge with one Mn(2)O6 octahedra; edges with two Li(3,3)O6 octahedra; edges with two Mn(3,3)O6 octahedra; and edges with three Li(4,4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. The Mn(2)-O(2) bond length is 1.96 Å. The Mn(2)-O(3) bond length is 1.97 Å. The Mn(2)-O(4) bond length is 1.96 Å. The Mn(2)-O(5) bond length is 1.96 Å. There is one shorter (1.93 Å) and one longer (1.94 Å) Mn(2)-O(1,1) bond length. In the fourth Mn site, Mn(2) is bonded to one O(2); one O(3); one O(4); one O(5); and two O(1,1) atoms to form MnO6 octahedra that share corners with two equivalent Li(2)O6 octahedra; corners with four Li(5,5)O6 octahedra;  an edgeedge with one Li(1)O6 octahedra;  an edgeedge with one Li(2)O6 octahedra;  an edgeedge with one Li(5)O6 octahedra;  an edgeedge with one Mn(1)O6 octahedra;  an edgeedge with one Mn(2)O6 octahedra; edges with two Li(3,3)O6 octahedra; edges with two Mn(3,3)O6 octahedra; and edges with three Li(4,4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. The Mn(2)-O(2) bond length is 1.96 Å. The Mn(2)-O(3) bond length is 1.97 Å. The Mn(2)-O(4) bond length is 1.96 Å. The Mn(2)-O(5) bond length is 1.96 Å. There is one shorter (1.93 Å) and one longer (1.94 Å) Mn(2)-O(1,1) bond length. In the fifth Mn site, Mn(3) is bonded to one O(2); one O(3); one O(4); one O(5); and two O(6,6) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra; corners with four Li(4,4)O6 octahedra;  an edgeedge with one Li(1)O6 octahedra;  an edgeedge with one Li(2)O6 octahedra;  an edgeedge with one Li(3)O6 octahedra;  an edgeedge with one Li(4)O6 octahedra;  an edgeedge with one Mn(3)O6 octahedra; edges with two Mn(1,1)O6 octahedra; edges with two Mn(2,2)O6 octahedra; and edges with three Li(5,5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. The Mn(3)-O(2) bond length is 2.26 Å. The Mn(3)-O(3) bond length is 1.94 Å. The Mn(3)-O(4) bond length is 1.94 Å. The Mn(3)-O(5) bond length is 2.28 Å. Both Mn(3)-O(6,6) bond lengths are 1.97 Å. In the sixth Mn site, Mn(3) is bonded to one O(2); one O(3); one O(4); one O(5); and two O(6,6) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O6 octahedra; corners with four Li(4,4)O6 octahedra;  an edgeedge with one Li(1)O6 octahedra;  an edgeedge with one Li(2)O6 octahedra;  an edgeedge with one Li(3)O6 octahedra;  an edgeedge with one Li(4)O6 octahedra;  an edgeedge with one Mn(3)O6 octahedra; edges with two Mn(1,1)O6 octahedra; edges with two Mn(2,2)O6 octahedra; and edges with three Li(5,5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. The Mn(3)-O(2) bond length is 2.26 Å. The Mn(3)-O(3) bond length is 1.94 Å. The Mn(3)-O(4) bond length is 1.94 Å. The Mn(3)-O(5) bond length is 2.28 Å. Both Mn(3)-O(6,6) bond lengths are 1.97 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(2); one Li(3); one Li(4); one Li(5); and two Mn(2,2) atoms to form OLi4Mn2 octahedra that share corners with two O(2,2)Li3Mn3 octahedra; corners with two O(5,5)Li3Mn3 octahedra; corners with two O(1,1)Li4Mn2 octahedra;  an edgeedge with one O(2)Li3Mn3 octahedra;  an edgeedge with one O(6)Li3Mn3 octahedra;  an edgeedge with one O(1)Li4Mn2 octahedra; edges with two O(5,5)Li3Mn3 octahedra; edges with three O(4,4)Li4Mn2 octahedra; and edges with four O(3,3)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second O site, O(1) is bonded to one Li(2); one Li(3); one Li(4); one Li(5); and two Mn(2,2) atoms to form OLi4Mn2 octahedra that share corners with two O(2,2)Li3Mn3 octahedra; corners with two O(5,5)Li3Mn3 octahedra; corners with two O(1,1)Li4Mn2 octahedra;  an edgeedge with one O(2)Li3Mn3 octahedra;  an edgeedge with one O(6)Li3Mn3 octahedra;  an edgeedge with one O(1)Li4Mn2 octahedra; edges with two O(5,5)Li3Mn3 octahedra; edges with three O(4,4)Li4Mn2 octahedra; and edges with four O(3,3)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third O site, O(2) is bonded to one Li(1), two equivalent Li(5), one Mn(1), one Mn(2), and one Mn(3) atom to form OLi3Mn3 octahedra that share corners with two O(2,2)Li3Mn3 octahedra; corners with two O(5,5)Li3Mn3 octahedra; corners with two O(1,1)Li4Mn2 octahedra;  an edgeedge with one O(2)Li3Mn3 octahedra;  an edgeedge with one O(1)Li4Mn2 octahedra;  an edgeedge with one O(3)Li4Mn2 octahedra; edges with two equivalent O(5)Li3Mn3 octahedra; edges with three O(4,4)Li4Mn2 octahedra; and edges with four O(6,6)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fourth O site, O(2) is bonded to one Li(1), two equivalent Li(5), one Mn(1), one Mn(2), and one Mn(3) atom to form OLi3Mn3 octahedra that share corners with two O(2,2)Li3Mn3 octahedra; corners with two O(5,5)Li3Mn3 octahedra; corners with two O(1,1)Li4Mn2 octahedra;  an edgeedge with one O(2)Li3Mn3 octahedra;  an edgeedge with one O(1)Li4Mn2 octahedra;  an edgeedge with one O(3)Li4Mn2 octahedra; edges with two equivalent O(5)Li3Mn3 octahedra; edges with three O(4,4)Li4Mn2 octahedra; and edges with four O(6,6)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the fifth O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(4), one Mn(2), and one Mn(3) atom to form distorted OLi4Mn2 octahedra that share corners with two O(6,6)Li3Mn3 octahedra; corners with two O(3,3)Li4Mn2 octahedra; corners with two O(4,4)Li4Mn2 octahedra;  an edgeedge with one O(2)Li3Mn3 octahedra;  an edgeedge with one O(6)Li3Mn3 octahedra;  an edgeedge with one O(3)Li4Mn2 octahedra; edges with two equivalent O(4)Li4Mn2 octahedra; edges with three O(5,5)Li3Mn3 octahedra; and edges with four O(1,1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the sixth O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(4), one Mn(2), and one Mn(3) atom to form distorted OLi4Mn2 octahedra that share corners with two O(6,6)Li3Mn3 octahedra; corners with two O(3,3)Li4Mn2 octahedra; corners with two O(4,4)Li4Mn2 octahedra;  an edgeedge with one O(2)Li3Mn3 octahedra;  an edgeedge with one O(6)Li3Mn3 octahedra;  an edgeedge with one O(3)Li4Mn2 octahedra; edges with two equivalent O(4)Li4Mn2 octahedra; edges with three O(5,5)Li3Mn3 octahedra; and edges with four O(1,1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the seventh O site, O(4) is bonded to one Li(1), one Li(3), one Li(4), one Li(5), one Mn(2), and one Mn(3) atom to form distorted OLi4Mn2 octahedra that share corners with two O(6,6)Li3Mn3 octahedra; corners with two O(3,3)Li4Mn2 octahedra; corners with two O(4,4)Li4Mn2 octahedra; edges with two O(5,5)Li3Mn3 octahedra; edges with two O(6,6)Li3Mn3 octahedra; edges with two equivalent O(3)Li4Mn2 octahedra; edges with three O(2,2)Li3Mn3 octahedra; and edges with three O(1,1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the eighth O site, O(4) is bonded to one Li(1), one Li(3), one Li(4), one Li(5), one Mn(2), and one Mn(3) atom to form distorted OLi4Mn2 octahedra that share corners with two O(6,6)Li3Mn3 octahedra; corners with two O(3,3)Li4Mn2 octahedra; corners with two O(4,4)Li4Mn2 octahedra; edges with two O(5,5)Li3Mn3 octahedra; edges with two O(6,6)Li3Mn3 octahedra; edges with two equivalent O(3)Li4Mn2 octahedra; edges with three O(2,2)Li3Mn3 octahedra; and edges with three O(1,1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the ninth O site, O(5) is bonded to one Li(2), one Li(4), one Li(5), one Mn(1), one Mn(2), and one Mn(3) atom to form OLi3Mn3 octahedra that share corners with two O(2,2)Li3Mn3 octahedra; corners with two O(5,5)Li3Mn3 octahedra; corners with two O(1,1)Li4Mn2 octahedra; edges with two equivalent O(2)Li3Mn3 octahedra; edges with two O(1,1)Li4Mn2 octahedra; edges with two O(4,4)Li4Mn2 octahedra; edges with three O(6,6)Li3Mn3 octahedra; and edges with three O(3,3)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the tenth O site, O(5) is bonded to one Li(2), one Li(4), one Li(5), one Mn(1), one Mn(2), and one Mn(3) atom to form OLi3Mn3 octahedra that share corners with two O(2,2)Li3Mn3 octahedra; corners with two O(5,5)Li3Mn3 octahedra; corners with two O(1,1)Li4Mn2 octahedra; edges with two equivalent O(2)Li3Mn3 octahedra; edges with two O(1,1)Li4Mn2 octahedra; edges with two O(4,4)Li4Mn2 octahedra; edges with three O(6,6)Li3Mn3 octahedra; and edges with three O(3,3)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the eleventh O site, O(6) is bonded to one Li(1); one Li(4); one Li(5); one Mn(1); and two Mn(3,3) atoms to form OLi3Mn3 octahedra that share corners with two O(6,6)Li3Mn3 octahedra; corners with two O(3,3)Li4Mn2 octahedra; corners with two O(4,4)Li4Mn2 octahedra;  an edgeedge with one O(6)Li3Mn3 octahedra;  an edgeedge with one O(1)Li4Mn2 octahedra;  an edgeedge with one O(3)Li4Mn2 octahedra; edges with two O(4,4)Li4Mn2 octahedra; edges with three O(5,5)Li3Mn3 octahedra; and edges with four O(2,2)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the twelfth O site, O(6) is bonded to one Li(1); one Li(4); one Li(5); one Mn(1); and two Mn(3,3) atoms to form OLi3Mn3 octahedra that share corners with two O(6,6)Li3Mn3 octahedra; corners with two O(3,3)Li4Mn2 octahedra; corners with two O(4,4)Li4Mn2 octahedra;  an edgeedge with one O(6)Li3Mn3 octahedra;  an edgeedge with one O(1)Li4Mn2 octahedra;  an edgeedge with one O(3)Li4Mn2 octahedra; edges with two O(4,4)Li4Mn2 octahedra; edges with three O(5,5)Li3Mn3 octahedra; and edges with four O(2,2)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 0-9°.