Li4Cr3Mn3(NiO8)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 Ni(2)O6 octahedra, and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-64°. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(5), one O(7), and two equivalent O(11) atoms. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to one O(4), one O(8), and two equivalent O(1) atoms. 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 Ni(1)O6 octahedra, and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-64°. 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 Ni(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. 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 Ni(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. 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 Ni(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. 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 Ni(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form NiO6 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,  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 Ni site, Ni(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form NiO6 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,  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 51-54°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Cr(2), one Mn(2), and one Ni(1) atom. In the second O site, O(2) is bonded to one Li(4), two equivalent Cr(1), and one Ni(1) atom to form distorted OLiCr2Ni tetrahedra that share corners with two equivalent O(4)LiMnCr2 tetrahedra, corners with two equivalent O(6)LiMnCrNi tetrahedra, and edges with two equivalent O(6)LiMnCrNi 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)LiCr2Ni tetrahedra and corners with four equivalent O(6)LiMnCrNi 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)LiMn2Ni tetrahedra and corners with four equivalent O(9)LiMnCrNi tetrahedra. In the sixth O site, O(6) is bonded to one Li(4), one Cr(1), one Mn(1), and one Ni(1) atom to form distorted OLiMnCrNi tetrahedra that share  a cornercorner with one O(2)LiCr2Ni tetrahedra,  a cornercorner with one O(6)LiMnCrNi tetrahedra, corners with two equivalent O(4)LiMnCr2 tetrahedra,  an edgeedge with one O(2)LiCr2Ni tetrahedra, and  an edgeedge with one O(6)LiMnCrNi tetrahedra. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), two equivalent Cr(1), and one Ni(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 Ni(1) atom. In the ninth O site, O(9) is bonded to one Li(1), one Cr(2), one Mn(2), and one Ni(2) atom to form distorted OLiMnCrNi tetrahedra that share  a cornercorner with one O(12)LiMn2Ni tetrahedra,  a cornercorner with one O(9)LiMnCrNi tetrahedra, corners with two equivalent O(5)LiMn2Cr tetrahedra,  an edgeedge with one O(12)LiMn2Ni tetrahedra, and  an edgeedge with one O(9)LiMnCrNi 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 distorted rectangular see-saw-like geometry to one Li(2), one Cr(1), one Mn(1), and one Ni(2) atom. In the twelfth O site, O(12) is bonded to one Li(1), two equivalent Mn(2), and one Ni(2) atom to form distorted OLiMn2Ni tetrahedra that share corners with two equivalent O(5)LiMn2Cr tetrahedra, corners with two equivalent O(9)LiMnCrNi tetrahedra, and edges with two equivalent O(9)LiMnCrNi tetrahedra.
Li4Cr3Mn3(NiO8)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 Ni(2)O6 octahedra, and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-64°. The Li(1)-O(12) bond length is 1.96 Å. The Li(1)-O(3) bond length is 2.05 Å. Both Li(1)-O(9) bond lengths are 1.95 Å. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one O(5), one O(7), and two equivalent O(11) atoms. The Li(2)-O(5) bond length is 1.78 Å. The Li(2)-O(7) bond length is 1.95 Å. Both Li(2)-O(11) bond lengths are 1.92 Å. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to one O(4), one O(8), and two equivalent O(1) atoms. The Li(3)-O(4) bond length is 1.77 Å. The Li(3)-O(8) bond length is 1.89 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 Ni(1)O6 octahedra, and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-64°. The Li(4)-O(10) bond length is 2.06 Å. The Li(4)-O(2) bond length is 1.96 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 Ni(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. The Cr(1)-O(11) bond length is 1.90 Å. The Cr(1)-O(2) bond length is 1.93 Å. The Cr(1)-O(3) bond length is 1.99 Å. The Cr(1)-O(4) bond length is 1.96 Å. The Cr(1)-O(6) bond length is 1.95 Å. The Cr(1)-O(7) bond length is 1.93 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 Ni(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. The Cr(2)-O(10) bond length is 2.00 Å. The Cr(2)-O(5) bond length is 1.98 Å. Both Cr(2)-O(1) bond lengths are 1.89 Å. Both Cr(2)-O(9) bond lengths are 1.94 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 Ni(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. 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 1.98 Å. Both Mn(1)-O(6) bond lengths are 1.91 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 Ni(1)O6 octahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. The Mn(2)-O(1) bond length is 1.98 Å. The Mn(2)-O(10) bond length is 1.94 Å. The Mn(2)-O(12) bond length is 1.93 Å. The Mn(2)-O(5) bond length is 1.93 Å. The Mn(2)-O(8) bond length is 1.95 Å. The Mn(2)-O(9) bond length is 1.91 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form NiO6 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,  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 Ni(1)-O(2) bond length is 2.14 Å. The Ni(1)-O(8) bond length is 2.08 Å. Both Ni(1)-O(1) bond lengths are 2.10 Å. Both Ni(1)-O(6) bond lengths are 2.16 Å. In the second Ni site, Ni(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form NiO6 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,  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 51-54°. The Ni(2)-O(12) bond length is 2.14 Å. The Ni(2)-O(7) bond length is 2.11 Å. Both Ni(2)-O(11) bond lengths are 2.11 Å. Both Ni(2)-O(9) bond lengths are 2.13 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Cr(2), one Mn(2), and one Ni(1) atom. In the second O site, O(2) is bonded to one Li(4), two equivalent Cr(1), and one Ni(1) atom to form distorted OLiCr2Ni tetrahedra that share corners with two equivalent O(4)LiMnCr2 tetrahedra, corners with two equivalent O(6)LiMnCrNi tetrahedra, and edges with two equivalent O(6)LiMnCrNi 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)LiCr2Ni tetrahedra and corners with four equivalent O(6)LiMnCrNi 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)LiMn2Ni tetrahedra and corners with four equivalent O(9)LiMnCrNi tetrahedra. In the sixth O site, O(6) is bonded to one Li(4), one Cr(1), one Mn(1), and one Ni(1) atom to form distorted OLiMnCrNi tetrahedra that share  a cornercorner with one O(2)LiCr2Ni tetrahedra,  a cornercorner with one O(6)LiMnCrNi tetrahedra, corners with two equivalent O(4)LiMnCr2 tetrahedra,  an edgeedge with one O(2)LiCr2Ni tetrahedra, and  an edgeedge with one O(6)LiMnCrNi tetrahedra. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), two equivalent Cr(1), and one Ni(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 Ni(1) atom. In the ninth O site, O(9) is bonded to one Li(1), one Cr(2), one Mn(2), and one Ni(2) atom to form distorted OLiMnCrNi tetrahedra that share  a cornercorner with one O(12)LiMn2Ni tetrahedra,  a cornercorner with one O(9)LiMnCrNi tetrahedra, corners with two equivalent O(5)LiMn2Cr tetrahedra,  an edgeedge with one O(12)LiMn2Ni tetrahedra, and  an edgeedge with one O(9)LiMnCrNi 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 distorted rectangular see-saw-like geometry to one Li(2), one Cr(1), one Mn(1), and one Ni(2) atom. In the twelfth O site, O(12) is bonded to one Li(1), two equivalent Mn(2), and one Ni(2) atom to form distorted OLiMn2Ni tetrahedra that share corners with two equivalent O(5)LiMn2Cr tetrahedra, corners with two equivalent O(9)LiMnCrNi tetrahedra, and edges with two equivalent O(9)LiMnCrNi tetrahedra.