Li4Cr3Mn3(FeO8)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 Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. 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 trigonal pyramids that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-63°. 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 Cr(1)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-64°. 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 Cr(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. There are two inequivalent Cr sites. In the first Cr site, Cr(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 CrO6 octahedra that share corners with two equivalent Fe(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 Fe(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 52-53°. In the second Cr site, Cr(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CrO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Fe(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 53°. 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 Fe(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 Fe(1)O6 octahedra, edges with four equivalent Cr(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 51°. 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 Fe(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 51-52°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Cr(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 Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the second Fe site, Fe(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. 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 Cr(2), one Mn(2), and one Fe(1) atom. In the second O site, O(2) is bonded to one Li(4), two equivalent Cr(1), and one Fe(1) atom to form distorted OLiCr2Fe tetrahedra that share corners with two equivalent O(4)LiMnCr2 tetrahedra, corners with two equivalent O(6)LiMnCrFe tetrahedra, and edges with two equivalent O(6)LiMnCrFe tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Cr(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Cr(1), and one Mn(1) atom to form distorted OLiMnCr2 tetrahedra that share corners with two equivalent O(2)LiCr2Fe tetrahedra and corners with four equivalent O(6)LiMnCrFe tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Cr(2), and two equivalent Mn(2) atoms to form distorted OLiMn2Cr tetrahedra that share corners with two equivalent O(12)LiMn2Fe tetrahedra and corners with four equivalent O(9)LiMnCrFe tetrahedra. In the sixth O site, O(6) is bonded to one Li(4), one Cr(1), one Mn(1), and one Fe(1) atom to form distorted OLiMnCrFe tetrahedra that share  a cornercorner with one O(2)LiCr2Fe tetrahedra,  a cornercorner with one O(6)LiMnCrFe tetrahedra, corners with two equivalent O(4)LiMnCr2 tetrahedra,  an edgeedge with one O(2)LiCr2Fe tetrahedra, and  an edgeedge with one O(6)LiMnCrFe tetrahedra. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Cr(1), and one Fe(2) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), two equivalent Mn(2), and one Fe(1) atom. In the ninth O site, O(9) is bonded to one Li(1), one Cr(2), one Mn(2), and one Fe(2) atom to form distorted OLiMnCrFe tetrahedra that share  a cornercorner with one O(12)LiMn2Fe tetrahedra,  a cornercorner with one O(9)LiMnCrFe tetrahedra, corners with two equivalent O(5)LiMn2Cr tetrahedra,  an edgeedge with one O(12)LiMn2Fe tetrahedra, and  an edgeedge with one O(9)LiMnCrFe tetrahedra. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Cr(2), and two equivalent Mn(2) atoms. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cr(1), one Mn(1), and one Fe(2) atom. In the twelfth O site, O(12) is bonded to one Li(1), two equivalent Mn(2), and one Fe(2) atom to form distorted OLiMn2Fe tetrahedra that share corners with two equivalent O(5)LiMn2Cr tetrahedra, corners with two equivalent O(9)LiMnCrFe tetrahedra, and edges with two equivalent O(9)LiMnCrFe tetrahedra.
Li4Cr3Mn3(FeO8)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 Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra, and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. The Li(1)-O(12) bond length is 1.98 Å. The Li(1)-O(3) bond length is 2.04 Å. Both Li(1)-O(9) bond lengths are 1.95 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 trigonal pyramids that share  a cornercorner with one Cr(2)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-63°. The Li(2)-O(5) bond length is 1.79 Å. The Li(2)-O(7) bond length is 1.94 Å. Both Li(2)-O(11) bond lengths are 1.92 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 Cr(1)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-64°. The Li(3)-O(4) bond length is 1.78 Å. The Li(3)-O(8) bond length is 1.93 Å. Both Li(3)-O(1) bond lengths are 1.93 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 Cr(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. The Li(4)-O(10) bond length is 2.07 Å. The Li(4)-O(2) bond length is 1.94 Å. Both Li(4)-O(6) bond lengths are 1.96 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(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 CrO6 octahedra that share corners with two equivalent Fe(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 Fe(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 52-53°. The Cr(1)-O(11) bond length is 2.00 Å. The Cr(1)-O(2) bond length is 1.93 Å. The Cr(1)-O(3) bond length is 1.96 Å. The Cr(1)-O(4) bond length is 1.96 Å. The Cr(1)-O(6) bond length is 1.97 Å. The Cr(1)-O(7) bond length is 1.97 Å. In the second Cr site, Cr(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CrO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Fe(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 53°. The Cr(2)-O(10) bond length is 1.97 Å. The Cr(2)-O(5) bond length is 1.97 Å. Both Cr(2)-O(1) bond lengths are 2.01 Å. Both Cr(2)-O(9) bond lengths are 1.95 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 Fe(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 Fe(1)O6 octahedra, edges with four equivalent Cr(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 51°. The Mn(1)-O(3) bond length is 1.92 Å. The Mn(1)-O(4) bond length is 1.91 Å. Both Mn(1)-O(11) bond lengths are 1.98 Å. Both Mn(1)-O(6) bond lengths are 1.93 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 Fe(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 51-52°. 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 1.94 Å. The Mn(2)-O(5) bond length is 1.93 Å. The Mn(2)-O(8) bond length is 1.99 Å. The Mn(2)-O(9) bond length is 1.91 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Cr(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 Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. The Fe(1)-O(2) bond length is 2.14 Å. The Fe(1)-O(8) bond length is 2.05 Å. Both Fe(1)-O(1) bond lengths are 2.01 Å. Both Fe(1)-O(6) bond lengths are 2.14 Å. In the second Fe site, Fe(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form FeO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. The Fe(2)-O(12) bond length is 2.15 Å. The Fe(2)-O(7) bond length is 2.03 Å. Both Fe(2)-O(11) bond lengths are 2.01 Å. Both Fe(2)-O(9) bond lengths are 2.14 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 Cr(2), one Mn(2), and one Fe(1) atom. In the second O site, O(2) is bonded to one Li(4), two equivalent Cr(1), and one Fe(1) atom to form distorted OLiCr2Fe tetrahedra that share corners with two equivalent O(4)LiMnCr2 tetrahedra, corners with two equivalent O(6)LiMnCrFe tetrahedra, and edges with two equivalent O(6)LiMnCrFe tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Cr(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Cr(1), and one Mn(1) atom to form distorted OLiMnCr2 tetrahedra that share corners with two equivalent O(2)LiCr2Fe tetrahedra and corners with four equivalent O(6)LiMnCrFe tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Cr(2), and two equivalent Mn(2) atoms to form distorted OLiMn2Cr tetrahedra that share corners with two equivalent O(12)LiMn2Fe tetrahedra and corners with four equivalent O(9)LiMnCrFe tetrahedra. In the sixth O site, O(6) is bonded to one Li(4), one Cr(1), one Mn(1), and one Fe(1) atom to form distorted OLiMnCrFe tetrahedra that share  a cornercorner with one O(2)LiCr2Fe tetrahedra,  a cornercorner with one O(6)LiMnCrFe tetrahedra, corners with two equivalent O(4)LiMnCr2 tetrahedra,  an edgeedge with one O(2)LiCr2Fe tetrahedra, and  an edgeedge with one O(6)LiMnCrFe tetrahedra. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Cr(1), and one Fe(2) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), two equivalent Mn(2), and one Fe(1) atom. In the ninth O site, O(9) is bonded to one Li(1), one Cr(2), one Mn(2), and one Fe(2) atom to form distorted OLiMnCrFe tetrahedra that share  a cornercorner with one O(12)LiMn2Fe tetrahedra,  a cornercorner with one O(9)LiMnCrFe tetrahedra, corners with two equivalent O(5)LiMn2Cr tetrahedra,  an edgeedge with one O(12)LiMn2Fe tetrahedra, and  an edgeedge with one O(9)LiMnCrFe tetrahedra. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one Cr(2), and two equivalent Mn(2) atoms. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cr(1), one Mn(1), and one Fe(2) atom. In the twelfth O site, O(12) is bonded to one Li(1), two equivalent Mn(2), and one Fe(2) atom to form distorted OLiMn2Fe tetrahedra that share corners with two equivalent O(5)LiMn2Cr tetrahedra, corners with two equivalent O(9)LiMnCrFe tetrahedra, and edges with two equivalent O(9)LiMnCrFe tetrahedra.