Li4Cr3Co3(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 Co(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 Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-66°. 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 Cr(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(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 58-66°. 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 Co(1)O6 octahedra. 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 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 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(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms 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, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the second Co site, Co(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 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, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. 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 Co(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. 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 Co(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 Co(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 Cr(2), one Co(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)LiCr2Co tetrahedra, corners with two equivalent O(6)LiCrCoNi tetrahedra,  a cornercorner with one O(8)LiCo2Ni trigonal pyramid,  a cornercorner with one O(10)LiCrCo2 trigonal pyramid, and edges with two equivalent O(6)LiCrCoNi tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Cr(1), and one Co(1) atom. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Cr(1), and one Co(1) atom to form distorted OLiCr2Co tetrahedra that share corners with two equivalent O(2)LiCr2Ni tetrahedra, corners with four equivalent O(6)LiCrCoNi tetrahedra, and  a cornercorner with one O(8)LiCo2Ni trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(2), one Cr(2), and two equivalent Co(2) atoms to form distorted OLiCrCo2 tetrahedra that share corners with two equivalent O(12)LiCo2Ni tetrahedra, corners with four equivalent O(9)LiCrCoNi tetrahedra, corners with three equivalent O(10)LiCrCo2 trigonal pyramids, and  an edgeedge with one O(8)LiCo2Ni trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(4), one Cr(1), one Co(1), and one Ni(1) atom to form distorted OLiCrCoNi tetrahedra that share  a cornercorner with one O(2)LiCr2Ni tetrahedra,  a cornercorner with one O(6)LiCrCoNi tetrahedra, corners with two equivalent O(4)LiCr2Co tetrahedra,  a cornercorner with one O(8)LiCo2Ni trigonal pyramid,  a cornercorner with one O(10)LiCrCo2 trigonal pyramid,  an edgeedge with one O(2)LiCr2Ni tetrahedra, and  an edgeedge with one O(6)LiCrCoNi 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 Ni(2) atom. In the eighth O site, O(8) is bonded to one Li(3), two equivalent Co(2), and one Ni(1) atom to form distorted OLiCo2Ni trigonal pyramids that share  a cornercorner with one O(4)LiCr2Co tetrahedra,  a cornercorner with one O(2)LiCr2Ni tetrahedra, corners with two equivalent O(12)LiCo2Ni tetrahedra, corners with two equivalent O(6)LiCrCoNi tetrahedra, corners with two equivalent O(9)LiCrCoNi tetrahedra, corners with two equivalent O(10)LiCrCo2 trigonal pyramids, and  an edgeedge with one O(5)LiCrCo2 tetrahedra. In the ninth O site, O(9) is bonded to one Li(1), one Cr(2), one Co(2), and one Ni(2) atom to form distorted OLiCrCoNi tetrahedra that share  a cornercorner with one O(12)LiCo2Ni tetrahedra,  a cornercorner with one O(9)LiCrCoNi tetrahedra, corners with two equivalent O(5)LiCrCo2 tetrahedra,  a cornercorner with one O(8)LiCo2Ni trigonal pyramid,  an edgeedge with one O(12)LiCo2Ni tetrahedra,  an edgeedge with one O(9)LiCrCoNi tetrahedra, and  an edgeedge with one O(10)LiCrCo2 trigonal pyramid. In the tenth O site, O(10) is bonded to one Li(4), one Cr(2), and two equivalent Co(2) atoms to form distorted OLiCrCo2 trigonal pyramids that share  a cornercorner with one O(2)LiCr2Ni tetrahedra, corners with two equivalent O(6)LiCrCoNi tetrahedra, corners with three equivalent O(5)LiCrCo2 tetrahedra, corners with two equivalent O(8)LiCo2Ni trigonal pyramids,  an edgeedge with one O(12)LiCo2Ni tetrahedra, and edges with two equivalent O(9)LiCrCoNi tetrahedra. 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 Co(1), and one Ni(2) atom. In the twelfth O site, O(12) is bonded to one Li(1), two equivalent Co(2), and one Ni(2) atom to form distorted OLiCo2Ni tetrahedra that share corners with two equivalent O(5)LiCrCo2 tetrahedra, corners with two equivalent O(9)LiCrCoNi tetrahedra, corners with two equivalent O(8)LiCo2Ni trigonal pyramids, edges with two equivalent O(9)LiCrCoNi tetrahedra, and  an edgeedge with one O(10)LiCrCo2 trigonal pyramid.
Li4Cr3Co3(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 Co(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 Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-66°. The Li(1)-O(12) bond length is 1.98 Å. The Li(1)-O(3) bond length is 2.03 Å. Both Li(1)-O(9) bond lengths are 1.93 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 1.77 Å. The Li(2)-O(7) bond length is 1.96 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 1.76 Å. The Li(3)-O(8) bond length is 1.88 Å. Both Li(3)-O(1) bond lengths are 1.92 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 Co(1)O6 octahedra, corners with two equivalent Co(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 58-66°. The Li(4)-O(10) bond length is 2.02 Å. The Li(4)-O(2) bond length is 1.92 Å. Both Li(4)-O(6) bond lengths are 1.97 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 Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. The Cr(1)-O(11) bond length is 1.93 Å. The Cr(1)-O(2) bond length is 1.91 Å. The Cr(1)-O(3) bond length is 1.97 Å. The Cr(1)-O(4) bond length is 1.95 Å. The Cr(1)-O(6) bond length is 1.93 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 Co(2)O6 octahedra. 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 1.96 Å. Both Cr(2)-O(1) bond lengths are 1.93 Å. Both Cr(2)-O(9) bond lengths are 1.92 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms 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, and edges with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. The Co(1)-O(3) bond length is 1.92 Å. The Co(1)-O(4) bond length is 1.90 Å. Both Co(1)-O(11) bond lengths are 1.91 Å. Both Co(1)-O(6) bond lengths are 1.90 Å. In the second Co site, Co(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 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, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. The Co(2)-O(1) bond length is 1.90 Å. The Co(2)-O(10) bond length is 1.92 Å. The Co(2)-O(12) bond length is 1.89 Å. The Co(2)-O(5) bond length is 1.91 Å. The Co(2)-O(8) bond length is 1.90 Å. The Co(2)-O(9) bond length is 1.89 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 Co(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra,  an edgeedge with one Co(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. The Ni(1)-O(2) bond length is 2.15 Å. The Ni(1)-O(8) bond length is 2.09 Å. Both Ni(1)-O(1) bond lengths are 2.08 Å. Both Ni(1)-O(6) bond lengths are 2.15 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 Co(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 Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. The Ni(2)-O(12) bond length is 2.16 Å. The Ni(2)-O(7) bond length is 2.07 Å. Both Ni(2)-O(11) bond lengths are 2.09 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 Cr(2), one Co(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)LiCr2Co tetrahedra, corners with two equivalent O(6)LiCrCoNi tetrahedra,  a cornercorner with one O(8)LiCo2Ni trigonal pyramid,  a cornercorner with one O(10)LiCrCo2 trigonal pyramid, and edges with two equivalent O(6)LiCrCoNi tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Cr(1), and one Co(1) atom. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Cr(1), and one Co(1) atom to form distorted OLiCr2Co tetrahedra that share corners with two equivalent O(2)LiCr2Ni tetrahedra, corners with four equivalent O(6)LiCrCoNi tetrahedra, and  a cornercorner with one O(8)LiCo2Ni trigonal pyramid. In the fifth O site, O(5) is bonded to one Li(2), one Cr(2), and two equivalent Co(2) atoms to form distorted OLiCrCo2 tetrahedra that share corners with two equivalent O(12)LiCo2Ni tetrahedra, corners with four equivalent O(9)LiCrCoNi tetrahedra, corners with three equivalent O(10)LiCrCo2 trigonal pyramids, and  an edgeedge with one O(8)LiCo2Ni trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(4), one Cr(1), one Co(1), and one Ni(1) atom to form distorted OLiCrCoNi tetrahedra that share  a cornercorner with one O(2)LiCr2Ni tetrahedra,  a cornercorner with one O(6)LiCrCoNi tetrahedra, corners with two equivalent O(4)LiCr2Co tetrahedra,  a cornercorner with one O(8)LiCo2Ni trigonal pyramid,  a cornercorner with one O(10)LiCrCo2 trigonal pyramid,  an edgeedge with one O(2)LiCr2Ni tetrahedra, and  an edgeedge with one O(6)LiCrCoNi 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 Ni(2) atom. In the eighth O site, O(8) is bonded to one Li(3), two equivalent Co(2), and one Ni(1) atom to form distorted OLiCo2Ni trigonal pyramids that share  a cornercorner with one O(4)LiCr2Co tetrahedra,  a cornercorner with one O(2)LiCr2Ni tetrahedra, corners with two equivalent O(12)LiCo2Ni tetrahedra, corners with two equivalent O(6)LiCrCoNi tetrahedra, corners with two equivalent O(9)LiCrCoNi tetrahedra, corners with two equivalent O(10)LiCrCo2 trigonal pyramids, and  an edgeedge with one O(5)LiCrCo2 tetrahedra. In the ninth O site, O(9) is bonded to one Li(1), one Cr(2), one Co(2), and one Ni(2) atom to form distorted OLiCrCoNi tetrahedra that share  a cornercorner with one O(12)LiCo2Ni tetrahedra,  a cornercorner with one O(9)LiCrCoNi tetrahedra, corners with two equivalent O(5)LiCrCo2 tetrahedra,  a cornercorner with one O(8)LiCo2Ni trigonal pyramid,  an edgeedge with one O(12)LiCo2Ni tetrahedra,  an edgeedge with one O(9)LiCrCoNi tetrahedra, and  an edgeedge with one O(10)LiCrCo2 trigonal pyramid. In the tenth O site, O(10) is bonded to one Li(4), one Cr(2), and two equivalent Co(2) atoms to form distorted OLiCrCo2 trigonal pyramids that share  a cornercorner with one O(2)LiCr2Ni tetrahedra, corners with two equivalent O(6)LiCrCoNi tetrahedra, corners with three equivalent O(5)LiCrCo2 tetrahedra, corners with two equivalent O(8)LiCo2Ni trigonal pyramids,  an edgeedge with one O(12)LiCo2Ni tetrahedra, and edges with two equivalent O(9)LiCrCoNi tetrahedra. 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 Co(1), and one Ni(2) atom. In the twelfth O site, O(12) is bonded to one Li(1), two equivalent Co(2), and one Ni(2) atom to form distorted OLiCo2Ni tetrahedra that share corners with two equivalent O(5)LiCrCo2 tetrahedra, corners with two equivalent O(9)LiCrCoNi tetrahedra, corners with two equivalent O(8)LiCo2Ni trigonal pyramids, edges with two equivalent O(9)LiCrCoNi tetrahedra, and  an edgeedge with one O(10)LiCrCo2 trigonal pyramid.