Li4Mn3Fe3(CoO8)2 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-65°. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-65°. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Co(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-65°. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Co(1)O6 octahedra, and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-65°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Co(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Co(1)O6 octahedra, edges with four equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Co(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 50-51°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form FeO6 octahedra that share corners with two equivalent Co(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Fe site, Fe(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with two equivalent Co(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, edges with four equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 51°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second Co site, Co(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Mn(2), one Fe(2), and one Co(1) atom. In the second O site, O(2) is bonded to one Li(4), two equivalent Fe(1), and one Co(1) atom to form distorted corner-sharing OLiFe2Co tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), and two equivalent Fe(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Mn(1), and two equivalent Fe(1) atoms to form corner-sharing OLiMnFe2 tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Mn(2), and one Fe(2) atom to form distorted corner-sharing OLiMn2Fe tetrahedra. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Mn(1), one Fe(1), and one Co(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Fe(1), and one Co(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), two equivalent Mn(2), and one Co(1) atom. In the ninth O site, O(9) is bonded to one Li(1), one Mn(2), one Fe(2), and one Co(2) atom to form distorted OLiMnFeCo tetrahedra that share  a cornercorner with one O(9)LiMnFeCo tetrahedra, corners with two equivalent O(5)LiMn2Fe tetrahedra, and  an edgeedge with one O(9)LiMnFeCo tetrahedra. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), two equivalent Mn(2), and one Fe(2) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(1), one Fe(1), and one Co(2) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Mn(2), and one Co(2) atom.
Li4Mn3Fe3(CoO8)2 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-65°. The Li(1)-O(12) bond length is 2.01 Å. The Li(1)-O(3) bond length is 1.94 Å. Both Li(1)-O(9) bond lengths are 1.96 Å. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-65°. The Li(2)-O(5) bond length is 1.77 Å. The Li(2)-O(7) bond length is 1.98 Å. Both Li(2)-O(11) bond lengths are 1.95 Å. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with three equivalent Co(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-65°. The Li(3)-O(4) bond length is 1.77 Å. The Li(3)-O(8) bond length is 1.94 Å. Both Li(3)-O(1) bond lengths are 1.95 Å. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Co(1)O6 octahedra, and corners with four equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-65°. The Li(4)-O(10) bond length is 1.98 Å. The Li(4)-O(2) bond length is 1.96 Å. Both Li(4)-O(6) bond lengths are 1.98 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Co(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Co(1)O6 octahedra, edges with four equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. The Mn(1)-O(3) bond length is 1.92 Å. The Mn(1)-O(4) bond length is 1.92 Å. Both Mn(1)-O(11) bond lengths are 2.01 Å. Both Mn(1)-O(6) bond lengths are 1.95 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Co(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 50-51°. The Mn(2)-O(1) bond length is 1.97 Å. The Mn(2)-O(10) bond length is 1.92 Å. The Mn(2)-O(12) bond length is 1.98 Å. The Mn(2)-O(5) bond length is 1.92 Å. The Mn(2)-O(8) bond length is 1.98 Å. The Mn(2)-O(9) bond length is 1.96 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form FeO6 octahedra that share corners with two equivalent Co(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-51°. The Fe(1)-O(11) bond length is 2.07 Å. The Fe(1)-O(2) bond length is 2.01 Å. The Fe(1)-O(3) bond length is 1.98 Å. The Fe(1)-O(4) bond length is 1.96 Å. The Fe(1)-O(6) bond length is 2.07 Å. The Fe(1)-O(7) bond length is 2.04 Å. In the second Fe site, Fe(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with two equivalent Co(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, edges with four equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 51°. The Fe(2)-O(10) bond length is 2.00 Å. The Fe(2)-O(5) bond length is 1.99 Å. Both Fe(2)-O(1) bond lengths are 2.03 Å. Both Fe(2)-O(9) bond lengths are 2.06 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. The Co(1)-O(2) bond length is 1.91 Å. The Co(1)-O(8) bond length is 2.14 Å. Both Co(1)-O(1) bond lengths are 2.00 Å. Both Co(1)-O(6) bond lengths are 1.95 Å. In the second Co site, Co(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form CoO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. The Co(2)-O(12) bond length is 2.01 Å. The Co(2)-O(7) bond length is 1.93 Å. Both Co(2)-O(11) bond lengths are 2.00 Å. Both Co(2)-O(9) bond lengths are 1.97 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Mn(2), one Fe(2), and one Co(1) atom. In the second O site, O(2) is bonded to one Li(4), two equivalent Fe(1), and one Co(1) atom to form distorted corner-sharing OLiFe2Co tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), and two equivalent Fe(1) atoms. In the fourth O site, O(4) is bonded to one Li(3), one Mn(1), and two equivalent Fe(1) atoms to form corner-sharing OLiMnFe2 tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Mn(2), and one Fe(2) atom to form distorted corner-sharing OLiMn2Fe tetrahedra. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Mn(1), one Fe(1), and one Co(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Fe(1), and one Co(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), two equivalent Mn(2), and one Co(1) atom. In the ninth O site, O(9) is bonded to one Li(1), one Mn(2), one Fe(2), and one Co(2) atom to form distorted OLiMnFeCo tetrahedra that share  a cornercorner with one O(9)LiMnFeCo tetrahedra, corners with two equivalent O(5)LiMn2Fe tetrahedra, and  an edgeedge with one O(9)LiMnFeCo tetrahedra. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), two equivalent Mn(2), and one Fe(2) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Mn(1), one Fe(1), and one Co(2) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Mn(2), and one Co(2) atom.