Li6Mn(FeO3)2 crystallizes in the triclinic P1 space group. There are twelve inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), one O(5), and two equivalent O(2) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra,  an edgeedge with one Li(5)O4 tetrahedra, and edges with two equivalent Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-57°. In the second Li site, Li(2) is bonded to one O(3), one O(6), and two equivalent O(1) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with two equivalent Li(10)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(6)O4 tetrahedra, and edges with two equivalent Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 13-55°. In the third Li site, Li(3) is bonded to one O(1), one O(7), and two equivalent O(3) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with two equivalent Li(11)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra,  an edgeedge with one Li(7)O4 tetrahedra, and edges with two equivalent Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-57°. In the fourth Li site, Li(4) is bonded to one O(2), one O(8), and two equivalent O(4) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Li(12)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(8)O4 tetrahedra, and edges with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 13-55°. In the fifth Li site, Li(5) is bonded to one O(4), one O(5), and two equivalent O(11) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Li(11)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(1)O4 tetrahedra, and edges with two equivalent Li(9)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-56°. In the sixth Li site, Li(6) is bonded to one O(3), one O(6), and two equivalent O(12) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Li(12)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra,  an edgeedge with one Li(2)O4 tetrahedra, and edges with two equivalent Li(10)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 12-55°. In the seventh Li site, Li(7) is bonded to one O(1), one O(7), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(3)O4 tetrahedra, and edges with two equivalent Li(11)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-56°. In the eighth Li site, Li(8) is bonded to one O(2), one O(8), and two equivalent O(10) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(10)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra,  an edgeedge with one Li(4)O4 tetrahedra, and edges with two equivalent Li(12)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 12-55°. In the ninth Li site, Li(9) is bonded to one O(11), one O(9), and two equivalent O(5) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra,  an edgeedge with one Li(11)O4 tetrahedra, and edges with two equivalent Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 14-55°. In the tenth Li site, Li(10) is bonded to one O(10), one O(12), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Li(10)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(12)O4 tetrahedra, and edges with two equivalent Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-58°. In the eleventh Li site, Li(11) is bonded to one O(11), one O(9), and two equivalent O(7) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with two equivalent Li(11)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra,  an edgeedge with one Li(9)O4 tetrahedra, and edges with two equivalent Li(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 13-55°. In the twelfth Li site, Li(12) is bonded to one O(10), one O(12), and two equivalent O(8) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Li(12)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(10)O4 tetrahedra, and edges with two equivalent Li(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-58°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(4), two equivalent O(6), and two equivalent O(8) atoms to form MnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(10)O4 tetrahedra, corners with two equivalent Li(12)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(10)O4 tetrahedra,  an edgeedge with one Li(12)O4 tetrahedra, edges with two equivalent Li(2)O4 tetrahedra, and edges with two equivalent Li(4)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), two equivalent O(5), and two equivalent O(7) atoms to form MnO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(11)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra,  an edgeedge with one Li(11)O4 tetrahedra,  an edgeedge with one Li(9)O4 tetrahedra, edges with two equivalent Li(1)O4 tetrahedra, and edges with two equivalent Li(3)O4 tetrahedra. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(8), one O(9), two equivalent O(1), and two equivalent O(12) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(10)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra, edges with two equivalent Li(12)O4 tetrahedra, and edges with two equivalent Li(7)O4 tetrahedra. In the second Fe site, Fe(2) is bonded to one O(11), one O(6), two equivalent O(10), and two equivalent O(4) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(12)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra,  an edgeedge with one Li(4)O4 tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra, edges with two equivalent Li(10)O4 tetrahedra, and edges with two equivalent Li(5)O4 tetrahedra. In the third Fe site, Fe(3) is bonded to one O(10), one O(7), two equivalent O(11), and two equivalent O(2) atoms to form FeO6 octahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra, edges with two equivalent Li(11)O4 tetrahedra, and edges with two equivalent Li(8)O4 tetrahedra. In the fourth Fe site, Fe(4) is bonded to one O(12), one O(5), two equivalent O(3), and two equivalent O(9) atoms to form FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(11)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra, edges with two equivalent Li(6)O4 tetrahedra, and edges with two equivalent Li(9)O4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(3), one Li(7), two equivalent Li(2), one Mn(1), and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(4), one Li(8), two equivalent Li(1), one Mn(2), and two equivalent Fe(3) atoms. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Li(2), one Li(6), two equivalent Li(3), one Mn(2), and two equivalent Fe(4) atoms. In the fourth O site, O(4) is bonded in a 7-coordinate geometry to one Li(1), one Li(5), two equivalent Li(4), one Mn(1), and two equivalent Fe(2) atoms. In the fifth O site, O(5) is bonded in a 7-coordinate geometry to one Li(1), one Li(5), two equivalent Li(9), two equivalent Mn(2), and one Fe(4) atom. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to one Li(2), one Li(6), two equivalent Li(10), two equivalent Mn(1), and one Fe(2) atom. In the seventh O site, O(7) is bonded in a 7-coordinate geometry to one Li(3), one Li(7), two equivalent Li(11), two equivalent Mn(2), and one Fe(3) atom. In the eighth O site, O(8) is bonded in a 7-coordinate geometry to one Li(4), one Li(8), two equivalent Li(12), two equivalent Mn(1), and one Fe(1) atom. In the ninth O site, O(9) is bonded in a 7-coordinate geometry to one Li(11), one Li(9), two equivalent Li(7), one Fe(1), and two equivalent Fe(4) atoms. In the tenth O site, O(10) is bonded in a 7-coordinate geometry to one Li(10), one Li(12), two equivalent Li(8), one Fe(3), and two equivalent Fe(2) atoms. In the eleventh O site, O(11) is bonded in a 7-coordinate geometry to one Li(11), one Li(9), two equivalent Li(5), one Fe(2), and two equivalent Fe(3) atoms. In the twelfth O site, O(12) is bonded in a 7-coordinate geometry to one Li(10), one Li(12), two equivalent Li(6), one Fe(4), and two equivalent Fe(1) atoms.
Li6Mn(FeO3)2 crystallizes in the triclinic P1 space group. There are twelve inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(4), one O(5), and two equivalent O(2) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra,  an edgeedge with one Li(5)O4 tetrahedra, and edges with two equivalent Li(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-57°. The Li(1)-O(4) bond length is 2.08 Å. The Li(1)-O(5) bond length is 1.99 Å. Both Li(1)-O(2) bond lengths are 1.95 Å. In the second Li site, Li(2) is bonded to one O(3), one O(6), and two equivalent O(1) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with two equivalent Li(10)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(6)O4 tetrahedra, and edges with two equivalent Li(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 13-55°. The Li(2)-O(3) bond length is 2.02 Å. The Li(2)-O(6) bond length is 1.96 Å. There is one shorter (1.97 Å) and one longer (1.99 Å) Li(2)-O(1) bond length. In the third Li site, Li(3) is bonded to one O(1), one O(7), and two equivalent O(3) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with two equivalent Li(11)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra,  an edgeedge with one Li(7)O4 tetrahedra, and edges with two equivalent Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-57°. The Li(3)-O(1) bond length is 2.08 Å. The Li(3)-O(7) bond length is 1.99 Å. Both Li(3)-O(3) bond lengths are 1.95 Å. In the fourth Li site, Li(4) is bonded to one O(2), one O(8), and two equivalent O(4) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Li(12)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(8)O4 tetrahedra, and edges with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 13-55°. The Li(4)-O(2) bond length is 2.02 Å. The Li(4)-O(8) bond length is 1.96 Å. There is one shorter (1.97 Å) and one longer (1.99 Å) Li(4)-O(4) bond length. In the fifth Li site, Li(5) is bonded to one O(4), one O(5), and two equivalent O(11) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Li(11)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Fe(3)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(1)O4 tetrahedra, and edges with two equivalent Li(9)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-56°. The Li(5)-O(4) bond length is 1.96 Å. The Li(5)-O(5) bond length is 2.09 Å. There is one shorter (1.93 Å) and one longer (1.95 Å) Li(5)-O(11) bond length. In the sixth Li site, Li(6) is bonded to one O(3), one O(6), and two equivalent O(12) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Li(12)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra,  an edgeedge with one Li(2)O4 tetrahedra, and edges with two equivalent Li(10)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 12-55°. The Li(6)-O(3) bond length is 1.93 Å. The Li(6)-O(6) bond length is 2.03 Å. There is one shorter (1.97 Å) and one longer (1.98 Å) Li(6)-O(12) bond length. In the seventh Li site, Li(7) is bonded to one O(1), one O(7), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(3)O4 tetrahedra, and edges with two equivalent Li(11)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-56°. The Li(7)-O(1) bond length is 1.96 Å. The Li(7)-O(7) bond length is 2.09 Å. There is one shorter (1.93 Å) and one longer (1.95 Å) Li(7)-O(9) bond length. In the eighth Li site, Li(8) is bonded to one O(2), one O(8), and two equivalent O(10) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(10)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra,  an edgeedge with one Li(4)O4 tetrahedra, and edges with two equivalent Li(12)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 12-55°. The Li(8)-O(2) bond length is 1.94 Å. The Li(8)-O(8) bond length is 2.04 Å. There is one shorter (1.97 Å) and one longer (1.98 Å) Li(8)-O(10) bond length. In the ninth Li site, Li(9) is bonded to one O(11), one O(9), and two equivalent O(5) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra,  an edgeedge with one Li(11)O4 tetrahedra, and edges with two equivalent Li(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 14-55°. The Li(9)-O(11) bond length is 2.04 Å. The Li(9)-O(9) bond length is 1.93 Å. There is one shorter (1.94 Å) and one longer (1.97 Å) Li(9)-O(5) bond length. In the tenth Li site, Li(10) is bonded to one O(10), one O(12), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Li(10)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(12)O4 tetrahedra, and edges with two equivalent Li(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-58°. The Li(10)-O(10) bond length is 1.97 Å. The Li(10)-O(12) bond length is 2.12 Å. There is one shorter (1.95 Å) and one longer (1.96 Å) Li(10)-O(6) bond length. In the eleventh Li site, Li(11) is bonded to one O(11), one O(9), and two equivalent O(7) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra, corners with two equivalent Li(11)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra,  an edgeedge with one Li(9)O4 tetrahedra, and edges with two equivalent Li(7)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 13-55°. The Li(11)-O(11) bond length is 1.93 Å. The Li(11)-O(9) bond length is 2.04 Å. There is one shorter (1.94 Å) and one longer (1.97 Å) Li(11)-O(7) bond length. In the twelfth Li site, Li(12) is bonded to one O(10), one O(12), and two equivalent O(8) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Li(12)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Li(10)O4 tetrahedra, and edges with two equivalent Li(8)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-58°. The Li(12)-O(10) bond length is 2.12 Å. The Li(12)-O(12) bond length is 1.97 Å. Both Li(12)-O(8) bond lengths are 1.95 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(4), two equivalent O(6), and two equivalent O(8) atoms to form MnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(10)O4 tetrahedra, corners with two equivalent Li(12)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Li(10)O4 tetrahedra,  an edgeedge with one Li(12)O4 tetrahedra, edges with two equivalent Li(2)O4 tetrahedra, and edges with two equivalent Li(4)O4 tetrahedra. The Mn(1)-O(1) bond length is 2.25 Å. The Mn(1)-O(4) bond length is 2.25 Å. There is one shorter (2.25 Å) and one longer (2.31 Å) Mn(1)-O(6) bond length. There is one shorter (2.25 Å) and one longer (2.31 Å) Mn(1)-O(8) bond length. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), two equivalent O(5), and two equivalent O(7) atoms to form MnO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra, corners with two equivalent Li(11)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra,  an edgeedge with one Li(11)O4 tetrahedra,  an edgeedge with one Li(9)O4 tetrahedra, edges with two equivalent Li(1)O4 tetrahedra, and edges with two equivalent Li(3)O4 tetrahedra. The Mn(2)-O(2) bond length is 2.23 Å. The Mn(2)-O(3) bond length is 2.24 Å. There is one shorter (2.24 Å) and one longer (2.32 Å) Mn(2)-O(5) bond length. There is one shorter (2.23 Å) and one longer (2.33 Å) Mn(2)-O(7) bond length. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(8), one O(9), two equivalent O(1), and two equivalent O(12) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(10)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra,  an edgeedge with one Li(2)O4 tetrahedra,  an edgeedge with one Li(6)O4 tetrahedra, edges with two equivalent Li(12)O4 tetrahedra, and edges with two equivalent Li(7)O4 tetrahedra. The Fe(1)-O(8) bond length is 2.27 Å. The Fe(1)-O(9) bond length is 2.22 Å. There is one shorter (2.15 Å) and one longer (2.33 Å) Fe(1)-O(1) bond length. There is one shorter (2.16 Å) and one longer (2.36 Å) Fe(1)-O(12) bond length. In the second Fe site, Fe(2) is bonded to one O(11), one O(6), two equivalent O(10), and two equivalent O(4) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Li(11)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(9)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(12)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra,  an edgeedge with one Li(4)O4 tetrahedra,  an edgeedge with one Li(8)O4 tetrahedra, edges with two equivalent Li(10)O4 tetrahedra, and edges with two equivalent Li(5)O4 tetrahedra. The Fe(2)-O(11) bond length is 2.21 Å. The Fe(2)-O(6) bond length is 2.27 Å. There is one shorter (2.16 Å) and one longer (2.36 Å) Fe(2)-O(10) bond length. There is one shorter (2.16 Å) and one longer (2.33 Å) Fe(2)-O(4) bond length. In the third Fe site, Fe(3) is bonded to one O(10), one O(7), two equivalent O(11), and two equivalent O(2) atoms to form FeO6 octahedra that share  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra,  an edgeedge with one Li(1)O4 tetrahedra,  an edgeedge with one Li(5)O4 tetrahedra, edges with two equivalent Li(11)O4 tetrahedra, and edges with two equivalent Li(8)O4 tetrahedra. The Fe(3)-O(10) bond length is 2.19 Å. The Fe(3)-O(7) bond length is 2.18 Å. There is one shorter (2.22 Å) and one longer (2.30 Å) Fe(3)-O(11) bond length. There is one shorter (2.26 Å) and one longer (2.33 Å) Fe(3)-O(2) bond length. In the fourth Fe site, Fe(4) is bonded to one O(12), one O(5), two equivalent O(3), and two equivalent O(9) atoms to form FeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(10)O4 tetrahedra,  a cornercorner with one Li(12)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(11)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Li(7)O4 tetrahedra, edges with two equivalent Li(6)O4 tetrahedra, and edges with two equivalent Li(9)O4 tetrahedra. The Fe(4)-O(12) bond length is 2.19 Å. The Fe(4)-O(5) bond length is 2.18 Å. There is one shorter (2.26 Å) and one longer (2.32 Å) Fe(4)-O(3) bond length. There is one shorter (2.23 Å) and one longer (2.30 Å) Fe(4)-O(9) bond length. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to one Li(3), one Li(7), two equivalent Li(2), one Mn(1), and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(4), one Li(8), two equivalent Li(1), one Mn(2), and two equivalent Fe(3) atoms. In the third O site, O(3) is bonded in a 7-coordinate geometry to one Li(2), one Li(6), two equivalent Li(3), one Mn(2), and two equivalent Fe(4) atoms. In the fourth O site, O(4) is bonded in a 7-coordinate geometry to one Li(1), one Li(5), two equivalent Li(4), one Mn(1), and two equivalent Fe(2) atoms. In the fifth O site, O(5) is bonded in a 7-coordinate geometry to one Li(1), one Li(5), two equivalent Li(9), two equivalent Mn(2), and one Fe(4) atom. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to one Li(2), one Li(6), two equivalent Li(10), two equivalent Mn(1), and one Fe(2) atom. In the seventh O site, O(7) is bonded in a 7-coordinate geometry to one Li(3), one Li(7), two equivalent Li(11), two equivalent Mn(2), and one Fe(3) atom. In the eighth O site, O(8) is bonded in a 7-coordinate geometry to one Li(4), one Li(8), two equivalent Li(12), two equivalent Mn(1), and one Fe(1) atom. In the ninth O site, O(9) is bonded in a 7-coordinate geometry to one Li(11), one Li(9), two equivalent Li(7), one Fe(1), and two equivalent Fe(4) atoms. In the tenth O site, O(10) is bonded in a 7-coordinate geometry to one Li(10), one Li(12), two equivalent Li(8), one Fe(3), and two equivalent Fe(2) atoms. In the eleventh O site, O(11) is bonded in a 7-coordinate geometry to one Li(11), one Li(9), two equivalent Li(5), one Fe(2), and two equivalent Fe(3) atoms. In the twelfth O site, O(12) is bonded in a 7-coordinate geometry to one Li(10), one Li(12), two equivalent Li(6), one Fe(4), and two equivalent Fe(1) atoms.