Li4Mn3Co3(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 Co(1)O6 octahedra, corners with two equivalent Co(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 58-64°. In the second Li site, Li(2) is bonded in a 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 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 Co(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 Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-66°. 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 Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. 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 Mn(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent Co sites. In the first Co site, Co(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 CoO6 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 Mn(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the second Co site, Co(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CoO6 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 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 Co(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 Co(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 Co(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. 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 Mn(2), one Co(2), and one Ni(1) atom. In the second O site, O(2) is bonded to one Li(4), two equivalent Co(1), and one Ni(1) atom to form distorted OLiCo2Ni tetrahedra that share corners with two equivalent O(4)LiMnCo2 tetrahedra, corners with two equivalent O(6)LiMnCoNi tetrahedra,  a cornercorner with one O(10)LiMn2Co trigonal pyramid, corners with two equivalent O(7)LiCo2Ni trigonal pyramids, edges with two equivalent O(6)LiMnCoNi tetrahedra, and  an edgeedge with one O(3)LiMnCo2 trigonal pyramid. In the third O site, O(3) is bonded to one Li(1), one Mn(1), and two equivalent Co(1) atoms to form distorted OLiMnCo2 trigonal pyramids that share  a cornercorner with one O(12)LiMn2Ni tetrahedra, corners with two equivalent O(9)LiMnCoNi tetrahedra, corners with three equivalent O(4)LiMnCo2 tetrahedra, corners with two equivalent O(7)LiCo2Ni trigonal pyramids,  an edgeedge with one O(2)LiCo2Ni tetrahedra, and edges with two equivalent O(6)LiMnCoNi tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), one Mn(1), and two equivalent Co(1) atoms to form distorted OLiMnCo2 tetrahedra that share corners with two equivalent O(2)LiCo2Ni tetrahedra, corners with four equivalent O(6)LiMnCoNi tetrahedra, corners with three equivalent O(3)LiMnCo2 trigonal pyramids, and  an edgeedge with one O(7)LiCo2Ni trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Mn(2), and one Co(2) atom to form distorted OLiMn2Co tetrahedra that share corners with two equivalent O(12)LiMn2Ni tetrahedra, corners with four equivalent O(9)LiMnCoNi tetrahedra,  a cornercorner with one O(7)LiCo2Ni trigonal pyramid, and corners with three equivalent O(10)LiMn2Co trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(4), one Mn(1), one Co(1), and one Ni(1) atom to form distorted OLiMnCoNi tetrahedra that share  a cornercorner with one O(2)LiCo2Ni tetrahedra,  a cornercorner with one O(6)LiMnCoNi tetrahedra, corners with two equivalent O(4)LiMnCo2 tetrahedra,  a cornercorner with one O(7)LiCo2Ni trigonal pyramid,  a cornercorner with one O(10)LiMn2Co trigonal pyramid,  an edgeedge with one O(2)LiCo2Ni tetrahedra,  an edgeedge with one O(6)LiMnCoNi tetrahedra, and  an edgeedge with one O(3)LiMnCo2 trigonal pyramid. In the seventh O site, O(7) is bonded to one Li(2), two equivalent Co(1), and one Ni(2) atom to form distorted OLiCo2Ni trigonal pyramids that share  a cornercorner with one O(5)LiMn2Co tetrahedra,  a cornercorner with one O(12)LiMn2Ni tetrahedra, corners with two equivalent O(2)LiCo2Ni tetrahedra, corners with two equivalent O(6)LiMnCoNi tetrahedra, corners with two equivalent O(9)LiMnCoNi tetrahedra, corners with two equivalent O(3)LiMnCo2 trigonal pyramids, and  an edgeedge with one O(4)LiMnCo2 tetrahedra. 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 Mn(2), one Co(2), and one Ni(2) atom to form distorted OLiMnCoNi tetrahedra that share  a cornercorner with one O(12)LiMn2Ni tetrahedra,  a cornercorner with one O(9)LiMnCoNi tetrahedra, corners with two equivalent O(5)LiMn2Co tetrahedra,  a cornercorner with one O(7)LiCo2Ni trigonal pyramid,  a cornercorner with one O(3)LiMnCo2 trigonal pyramid,  an edgeedge with one O(12)LiMn2Ni tetrahedra,  an edgeedge with one O(9)LiMnCoNi tetrahedra, and  an edgeedge with one O(10)LiMn2Co trigonal pyramid. In the tenth O site, O(10) is bonded to one Li(4), two equivalent Mn(2), and one Co(2) atom to form distorted OLiMn2Co trigonal pyramids that share  a cornercorner with one O(2)LiCo2Ni tetrahedra, corners with two equivalent O(6)LiMnCoNi tetrahedra, corners with three equivalent O(5)LiMn2Co tetrahedra,  an edgeedge with one O(12)LiMn2Ni tetrahedra, and edges with two equivalent O(9)LiMnCoNi tetrahedra. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), one Co(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)LiMn2Co tetrahedra, corners with two equivalent O(9)LiMnCoNi tetrahedra,  a cornercorner with one O(7)LiCo2Ni trigonal pyramid,  a cornercorner with one O(3)LiMnCo2 trigonal pyramid, edges with two equivalent O(9)LiMnCoNi tetrahedra, and  an edgeedge with one O(10)LiMn2Co trigonal pyramid.
Li4Mn3Co3(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 Co(1)O6 octahedra, corners with two equivalent Co(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 58-64°. The Li(1)-O(12) bond length is 1.90 Å. The Li(1)-O(3) bond length is 2.04 Å. Both Li(1)-O(9) bond lengths are 1.94 Å. In the second Li site, Li(2) is bonded in a 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 1.88 Å. Both Li(2)-O(11) bond lengths are 1.90 Å. In the third Li site, Li(3) is bonded in a 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 1.92 Å. Both Li(3)-O(1) bond lengths are 1.89 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 Co(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 Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-66°. The Li(4)-O(10) bond length is 2.07 Å. The Li(4)-O(2) bond length is 1.95 Å. Both Li(4)-O(6) bond lengths are 1.92 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 Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. 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 1.96 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 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 Mn(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. The Mn(2)-O(1) bond length is 1.96 Å. The Mn(2)-O(10) bond length is 1.93 Å. The Mn(2)-O(12) bond length is 1.92 Å. The Mn(2)-O(5) bond length is 1.93 Å. The Mn(2)-O(8) bond length is 1.94 Å. The Mn(2)-O(9) bond length is 1.93 Å. There are two inequivalent Co sites. In the first Co site, Co(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 CoO6 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 Mn(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. The Co(1)-O(11) bond length is 1.89 Å. The Co(1)-O(2) bond length is 1.89 Å. The Co(1)-O(3) bond length is 1.92 Å. The Co(1)-O(4) bond length is 1.91 Å. The Co(1)-O(6) bond length is 1.90 Å. The Co(1)-O(7) bond length is 1.90 Å. In the second Co site, Co(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CoO6 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 Co(2)-O(10) bond length is 1.93 Å. The Co(2)-O(5) bond length is 1.91 Å. Both Co(2)-O(1) bond lengths are 1.89 Å. Both Co(2)-O(9) bond lengths are 1.90 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 Co(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 Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. The Ni(1)-O(2) bond length is 2.17 Å. The Ni(1)-O(8) bond length is 2.06 Å. Both Ni(1)-O(1) bond lengths are 2.08 Å. Both Ni(1)-O(6) bond lengths are 2.12 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 Co(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. The Ni(2)-O(12) bond length is 2.12 Å. The Ni(2)-O(7) bond length is 2.09 Å. Both Ni(2)-O(11) bond lengths are 2.06 Å. Both Ni(2)-O(9) bond lengths are 2.15 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 Co(2), and one Ni(1) atom. In the second O site, O(2) is bonded to one Li(4), two equivalent Co(1), and one Ni(1) atom to form distorted OLiCo2Ni tetrahedra that share corners with two equivalent O(4)LiMnCo2 tetrahedra, corners with two equivalent O(6)LiMnCoNi tetrahedra,  a cornercorner with one O(10)LiMn2Co trigonal pyramid, corners with two equivalent O(7)LiCo2Ni trigonal pyramids, edges with two equivalent O(6)LiMnCoNi tetrahedra, and  an edgeedge with one O(3)LiMnCo2 trigonal pyramid. In the third O site, O(3) is bonded to one Li(1), one Mn(1), and two equivalent Co(1) atoms to form distorted OLiMnCo2 trigonal pyramids that share  a cornercorner with one O(12)LiMn2Ni tetrahedra, corners with two equivalent O(9)LiMnCoNi tetrahedra, corners with three equivalent O(4)LiMnCo2 tetrahedra, corners with two equivalent O(7)LiCo2Ni trigonal pyramids,  an edgeedge with one O(2)LiCo2Ni tetrahedra, and edges with two equivalent O(6)LiMnCoNi tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), one Mn(1), and two equivalent Co(1) atoms to form distorted OLiMnCo2 tetrahedra that share corners with two equivalent O(2)LiCo2Ni tetrahedra, corners with four equivalent O(6)LiMnCoNi tetrahedra, corners with three equivalent O(3)LiMnCo2 trigonal pyramids, and  an edgeedge with one O(7)LiCo2Ni trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Mn(2), and one Co(2) atom to form distorted OLiMn2Co tetrahedra that share corners with two equivalent O(12)LiMn2Ni tetrahedra, corners with four equivalent O(9)LiMnCoNi tetrahedra,  a cornercorner with one O(7)LiCo2Ni trigonal pyramid, and corners with three equivalent O(10)LiMn2Co trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(4), one Mn(1), one Co(1), and one Ni(1) atom to form distorted OLiMnCoNi tetrahedra that share  a cornercorner with one O(2)LiCo2Ni tetrahedra,  a cornercorner with one O(6)LiMnCoNi tetrahedra, corners with two equivalent O(4)LiMnCo2 tetrahedra,  a cornercorner with one O(7)LiCo2Ni trigonal pyramid,  a cornercorner with one O(10)LiMn2Co trigonal pyramid,  an edgeedge with one O(2)LiCo2Ni tetrahedra,  an edgeedge with one O(6)LiMnCoNi tetrahedra, and  an edgeedge with one O(3)LiMnCo2 trigonal pyramid. In the seventh O site, O(7) is bonded to one Li(2), two equivalent Co(1), and one Ni(2) atom to form distorted OLiCo2Ni trigonal pyramids that share  a cornercorner with one O(5)LiMn2Co tetrahedra,  a cornercorner with one O(12)LiMn2Ni tetrahedra, corners with two equivalent O(2)LiCo2Ni tetrahedra, corners with two equivalent O(6)LiMnCoNi tetrahedra, corners with two equivalent O(9)LiMnCoNi tetrahedra, corners with two equivalent O(3)LiMnCo2 trigonal pyramids, and  an edgeedge with one O(4)LiMnCo2 tetrahedra. 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 Mn(2), one Co(2), and one Ni(2) atom to form distorted OLiMnCoNi tetrahedra that share  a cornercorner with one O(12)LiMn2Ni tetrahedra,  a cornercorner with one O(9)LiMnCoNi tetrahedra, corners with two equivalent O(5)LiMn2Co tetrahedra,  a cornercorner with one O(7)LiCo2Ni trigonal pyramid,  a cornercorner with one O(3)LiMnCo2 trigonal pyramid,  an edgeedge with one O(12)LiMn2Ni tetrahedra,  an edgeedge with one O(9)LiMnCoNi tetrahedra, and  an edgeedge with one O(10)LiMn2Co trigonal pyramid. In the tenth O site, O(10) is bonded to one Li(4), two equivalent Mn(2), and one Co(2) atom to form distorted OLiMn2Co trigonal pyramids that share  a cornercorner with one O(2)LiCo2Ni tetrahedra, corners with two equivalent O(6)LiMnCoNi tetrahedra, corners with three equivalent O(5)LiMn2Co tetrahedra,  an edgeedge with one O(12)LiMn2Ni tetrahedra, and edges with two equivalent O(9)LiMnCoNi tetrahedra. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), one Co(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)LiMn2Co tetrahedra, corners with two equivalent O(9)LiMnCoNi tetrahedra,  a cornercorner with one O(7)LiCo2Ni trigonal pyramid,  a cornercorner with one O(3)LiMnCo2 trigonal pyramid, edges with two equivalent O(9)LiMnCoNi tetrahedra, and  an edgeedge with one O(10)LiMn2Co trigonal pyramid.