Li4Co3Ni3(TeO8)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 Ni(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with three equivalent Te(2)O6 octahedra, and corners with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-66°. 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 Co(2)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Te(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-67°. 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 Ni(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with three equivalent Te(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-70°. 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 Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Te(1)O6 octahedra, and corners with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-64°. 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 Te(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 Te(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. 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 Te(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 Te(2)O6 octahedra, edges with four equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 49°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Te(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 Te(1)O6 octahedra, edges with four equivalent Co(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the second Ni site, Ni(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 NiO6 octahedra that share corners with two equivalent Te(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 Te(2)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Ni(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 Te sites. In the first Te site, Te(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form TeO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the second Te site, Te(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form TeO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. 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 Co(2), one Ni(2), and one Te(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), two equivalent Co(1), and one Te(1) atom. In the third O site, O(3) is bonded to one Li(1), two equivalent Co(1), and one Ni(1) atom to form distorted OLiCo2Ni tetrahedra that share  a cornercorner with one O(12)LiNi2Te tetrahedra and corners with three equivalent O(4)LiCo2Ni tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Co(1), and one Ni(1) atom to form corner-sharing OLiCo2Ni tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Co(2), and two equivalent Ni(2) atoms to form OLiCoNi2 tetrahedra that share corners with two equivalent O(12)LiNi2Te tetrahedra and corners with three equivalent O(10)LiCoNi2 tetrahedra. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Co(1), one Ni(1), and one Te(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Co(1), and one Te(2) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), two equivalent Ni(2), and one Te(1) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Co(2), one Ni(2), and one Te(2) atom. In the tenth O site, O(10) is bonded to one Li(4), one Co(2), and two equivalent Ni(2) atoms to form distorted OLiCoNi2 tetrahedra that share corners with three equivalent O(5)LiCoNi2 tetrahedra and  an edgeedge with one O(12)LiNi2Te tetrahedra. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(1), one Ni(1), and one Te(2) atom. In the twelfth O site, O(12) is bonded to one Li(1), two equivalent Ni(2), and one Te(2) atom to form distorted OLiNi2Te tetrahedra that share  a cornercorner with one O(3)LiCo2Ni tetrahedra, corners with two equivalent O(5)LiCoNi2 tetrahedra, and  an edgeedge with one O(10)LiCoNi2 tetrahedra.
Li4Co3Ni3(TeO8)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 Ni(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with three equivalent Te(2)O6 octahedra, and corners with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-66°. The Li(1)-O(12) bond length is 1.91 Å. The Li(1)-O(3) bond length is 2.03 Å. Both Li(1)-O(9) bond lengths are 1.98 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 Co(2)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Te(2)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-67°. The Li(2)-O(5) bond length is 1.83 Å. The Li(2)-O(7) bond length is 1.97 Å. Both Li(2)-O(11) bond lengths are 1.98 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 Ni(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with three equivalent Te(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-70°. The Li(3)-O(4) bond length is 1.86 Å. The Li(3)-O(8) bond length is 2.00 Å. Both Li(3)-O(1) bond lengths are 1.98 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 Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Te(1)O6 octahedra, and corners with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-64°. The Li(4)-O(10) bond length is 1.94 Å. The Li(4)-O(2) bond length is 1.97 Å. Both Li(4)-O(6) bond lengths are 1.95 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 Te(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 Te(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. The Co(1)-O(11) bond length is 2.07 Å. The Co(1)-O(2) bond length is 2.13 Å. The Co(1)-O(3) bond length is 1.85 Å. The Co(1)-O(4) bond length is 1.86 Å. The Co(1)-O(6) bond length is 2.02 Å. The Co(1)-O(7) bond length is 2.11 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 Te(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 Te(2)O6 octahedra, edges with four equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 49°. The Co(2)-O(10) bond length is 1.85 Å. The Co(2)-O(5) bond length is 1.87 Å. Both Co(2)-O(1) bond lengths are 2.03 Å. Both Co(2)-O(9) bond lengths are 1.94 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent Te(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 Te(1)O6 octahedra, edges with four equivalent Co(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. The Ni(1)-O(3) bond length is 1.98 Å. The Ni(1)-O(4) bond length is 1.99 Å. Both Ni(1)-O(11) bond lengths are 2.10 Å. Both Ni(1)-O(6) bond lengths are 2.11 Å. In the second Ni site, Ni(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 NiO6 octahedra that share corners with two equivalent Te(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 Te(2)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 51°. The Ni(2)-O(1) bond length is 2.12 Å. The Ni(2)-O(10) bond length is 1.93 Å. The Ni(2)-O(12) bond length is 2.05 Å. The Ni(2)-O(5) bond length is 1.94 Å. The Ni(2)-O(8) bond length is 2.07 Å. The Ni(2)-O(9) bond length is 2.17 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form TeO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Ni(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. The Te(1)-O(2) bond length is 1.97 Å. The Te(1)-O(8) bond length is 1.95 Å. Both Te(1)-O(1) bond lengths are 1.98 Å. Both Te(1)-O(6) bond lengths are 1.99 Å. In the second Te site, Te(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form TeO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. The Te(2)-O(12) bond length is 1.97 Å. The Te(2)-O(7) bond length is 1.97 Å. Both Te(2)-O(11) bond lengths are 1.96 Å. Both Te(2)-O(9) bond lengths are 2.00 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 Co(2), one Ni(2), and one Te(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), two equivalent Co(1), and one Te(1) atom. In the third O site, O(3) is bonded to one Li(1), two equivalent Co(1), and one Ni(1) atom to form distorted OLiCo2Ni tetrahedra that share  a cornercorner with one O(12)LiNi2Te tetrahedra and corners with three equivalent O(4)LiCo2Ni tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Co(1), and one Ni(1) atom to form corner-sharing OLiCo2Ni tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Co(2), and two equivalent Ni(2) atoms to form OLiCoNi2 tetrahedra that share corners with two equivalent O(12)LiNi2Te tetrahedra and corners with three equivalent O(10)LiCoNi2 tetrahedra. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Co(1), one Ni(1), and one Te(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Co(1), and one Te(2) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), two equivalent Ni(2), and one Te(1) atom. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Co(2), one Ni(2), and one Te(2) atom. In the tenth O site, O(10) is bonded to one Li(4), one Co(2), and two equivalent Ni(2) atoms to form distorted OLiCoNi2 tetrahedra that share corners with three equivalent O(5)LiCoNi2 tetrahedra and  an edgeedge with one O(12)LiNi2Te tetrahedra. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(1), one Ni(1), and one Te(2) atom. In the twelfth O site, O(12) is bonded to one Li(1), two equivalent Ni(2), and one Te(2) atom to form distorted OLiNi2Te tetrahedra that share  a cornercorner with one O(3)LiCo2Ni tetrahedra, corners with two equivalent O(5)LiCoNi2 tetrahedra, and  an edgeedge with one O(10)LiCoNi2 tetrahedra.