Li4Nb3Co3(TeO8)2 is Hausmannite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(13), one O(14), one O(2), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, and corners with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-60°. In the second Li site, Li(2) is bonded to one O(15), one O(16), one O(4), and one O(5) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and  an edgeedge with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-63°. In the third Li site, Li(3) is bonded to one O(10), one O(3), one O(6), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 66-67°. In the fourth Li site, Li(4) is bonded to one O(1), one O(11), one O(12), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and corners with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-60°. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(11), one O(12), one O(15), one O(16), one O(2), and one O(3) atom to form distorted NbO6 octahedra that share  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, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the second Nb site, Nb(2) is bonded to one O(13), one O(4), one O(6), one O(7), one O(8), and one O(9) atom to form distorted NbO6 octahedra that share  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, edges with two equivalent Nb(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the third Nb site, Nb(3) is bonded to one O(10), one O(14), one O(4), one O(6), one O(7), and one O(8) atom to form distorted NbO6 octahedra that share  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, edges with two equivalent Nb(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(13), one O(14), one O(4), one O(7), and one O(9) atom to form CoO6 octahedra that share  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, edges with two equivalent Nb(2)O6 octahedra, edges with two equivalent Nb(3)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the second Co site, Co(2) is bonded to one O(1), one O(11), one O(15), one O(2), one O(3), and one O(5) atom to form CoO6 octahedra that share  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, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the third Co site, Co(3) is bonded to one O(1), one O(12), one O(16), one O(2), one O(3), and one O(5) atom to form CoO6 octahedra that share  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, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(6), and one O(9) atom. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one O(13), one O(14), one O(15), one O(16), and one O(5) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(4), one Co(2), one Co(3), and one Te(1) atom to form OLiCo2Te tetrahedra that share  a cornercorner with one O(6)LiNb2Te tetrahedra and corners with two equivalent O(3)LiNbCo2 tetrahedra. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Nb(1), one Co(2), and one Co(3) atom. In the third O site, O(3) is bonded to one Li(3), one Nb(1), one Co(2), and one Co(3) atom to form OLiNbCo2 tetrahedra that share  a cornercorner with one O(6)LiNb2Te tetrahedra and corners with two equivalent O(1)LiCo2Te tetrahedra. In the fourth O site, O(4) is bonded to one Li(2), one Nb(2), one Nb(3), and one Co(1) atom to form distorted edge-sharing OLiNb2Co tetrahedra. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(2), one Co(3), and one Te(2) atom. In the sixth O site, O(6) is bonded to one Li(3), one Nb(2), one Nb(3), and one Te(1) atom to form distorted OLiNb2Te tetrahedra that share  a cornercorner with one O(1)LiCo2Te tetrahedra,  a cornercorner with one O(3)LiNbCo2 tetrahedra, and  an edgeedge with one O(4)LiNb2Co tetrahedra. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Nb(2), one Nb(3), and one Co(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one Nb(2), and one Nb(3) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(3), one Nb(2), one Co(1), and one Te(1) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(3), one Nb(3), one Co(1), and one Te(1) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Nb(1), one Co(2), and one Te(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Nb(1), one Co(3), and one Te(1) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Li(1), one Nb(2), one Co(1), and one Te(2) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Li(1), one Nb(3), one Co(1), and one Te(2) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(1), one Co(2), and one Te(2) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(1), one Co(3), and one Te(2) atom.
Li4Nb3Co3(TeO8)2 is Hausmannite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(13), one O(14), one O(2), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, and corners with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-60°. The Li(1)-O(13) bond length is 2.00 Å. The Li(1)-O(14) bond length is 2.00 Å. The Li(1)-O(2) bond length is 2.12 Å. The Li(1)-O(8) bond length is 2.10 Å. In the second Li site, Li(2) is bonded to one O(15), one O(16), one O(4), and one O(5) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and  an edgeedge with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-63°. The Li(2)-O(15) bond length is 2.13 Å. The Li(2)-O(16) bond length is 2.13 Å. The Li(2)-O(4) bond length is 1.97 Å. The Li(2)-O(5) bond length is 2.06 Å. In the third Li site, Li(3) is bonded to one O(10), one O(3), one O(6), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 66-67°. The Li(3)-O(10) bond length is 2.00 Å. The Li(3)-O(3) bond length is 1.94 Å. The Li(3)-O(6) bond length is 2.07 Å. The Li(3)-O(9) bond length is 2.00 Å. In the fourth Li site, Li(4) is bonded to one O(1), one O(11), one O(12), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and corners with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-60°. The Li(4)-O(1) bond length is 2.00 Å. The Li(4)-O(11) bond length is 1.98 Å. The Li(4)-O(12) bond length is 1.99 Å. The Li(4)-O(7) bond length is 2.07 Å. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(11), one O(12), one O(15), one O(16), one O(2), and one O(3) atom to form distorted NbO6 octahedra that share  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, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The Nb(1)-O(11) bond length is 1.90 Å. The Nb(1)-O(12) bond length is 1.90 Å. The Nb(1)-O(15) bond length is 2.31 Å. The Nb(1)-O(16) bond length is 2.31 Å. The Nb(1)-O(2) bond length is 2.01 Å. The Nb(1)-O(3) bond length is 1.98 Å. In the second Nb site, Nb(2) is bonded to one O(13), one O(4), one O(6), one O(7), one O(8), and one O(9) atom to form distorted NbO6 octahedra that share  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, edges with two equivalent Nb(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The Nb(2)-O(13) bond length is 1.89 Å. The Nb(2)-O(4) bond length is 2.08 Å. The Nb(2)-O(6) bond length is 2.02 Å. The Nb(2)-O(7) bond length is 2.06 Å. The Nb(2)-O(8) bond length is 2.04 Å. The Nb(2)-O(9) bond length is 2.25 Å. In the third Nb site, Nb(3) is bonded to one O(10), one O(14), one O(4), one O(6), one O(7), and one O(8) atom to form distorted NbO6 octahedra that share  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, edges with two equivalent Nb(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The Nb(3)-O(10) bond length is 2.25 Å. The Nb(3)-O(14) bond length is 1.88 Å. The Nb(3)-O(4) bond length is 2.07 Å. The Nb(3)-O(6) bond length is 2.01 Å. The Nb(3)-O(7) bond length is 2.06 Å. The Nb(3)-O(8) bond length is 2.05 Å. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(10), one O(13), one O(14), one O(4), one O(7), and one O(9) atom to form CoO6 octahedra that share  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, edges with two equivalent Nb(2)O6 octahedra, edges with two equivalent Nb(3)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The Co(1)-O(10) bond length is 2.34 Å. The Co(1)-O(13) bond length is 2.16 Å. The Co(1)-O(14) bond length is 2.17 Å. The Co(1)-O(4) bond length is 2.27 Å. The Co(1)-O(7) bond length is 2.11 Å. The Co(1)-O(9) bond length is 2.35 Å. In the second Co site, Co(2) is bonded to one O(1), one O(11), one O(15), one O(2), one O(3), and one O(5) atom to form CoO6 octahedra that share  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, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The Co(2)-O(1) bond length is 2.21 Å. The Co(2)-O(11) bond length is 2.17 Å. The Co(2)-O(15) bond length is 2.18 Å. The Co(2)-O(2) bond length is 2.12 Å. The Co(2)-O(3) bond length is 2.06 Å. The Co(2)-O(5) bond length is 2.15 Å. In the third Co site, Co(3) is bonded to one O(1), one O(12), one O(16), one O(2), one O(3), and one O(5) atom to form CoO6 octahedra that share  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, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The Co(3)-O(1) bond length is 2.21 Å. The Co(3)-O(12) bond length is 2.17 Å. The Co(3)-O(16) bond length is 2.18 Å. The Co(3)-O(2) bond length is 2.11 Å. The Co(3)-O(3) bond length is 2.06 Å. The Co(3)-O(5) bond length is 2.15 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(6), and one O(9) atom. The Te(1)-O(1) bond length is 1.97 Å. The Te(1)-O(10) bond length is 1.96 Å. The Te(1)-O(11) bond length is 2.57 Å. The Te(1)-O(12) bond length is 2.56 Å. The Te(1)-O(6) bond length is 2.59 Å. The Te(1)-O(9) bond length is 1.96 Å. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one O(13), one O(14), one O(15), one O(16), and one O(5) atom. The Te(2)-O(13) bond length is 2.65 Å. The Te(2)-O(14) bond length is 2.64 Å. The Te(2)-O(15) bond length is 1.97 Å. The Te(2)-O(16) bond length is 1.97 Å. The Te(2)-O(5) bond length is 1.96 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(4), one Co(2), one Co(3), and one Te(1) atom to form OLiCo2Te tetrahedra that share  a cornercorner with one O(6)LiNb2Te tetrahedra and corners with two equivalent O(3)LiNbCo2 tetrahedra. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Nb(1), one Co(2), and one Co(3) atom. In the third O site, O(3) is bonded to one Li(3), one Nb(1), one Co(2), and one Co(3) atom to form OLiNbCo2 tetrahedra that share  a cornercorner with one O(6)LiNb2Te tetrahedra and corners with two equivalent O(1)LiCo2Te tetrahedra. In the fourth O site, O(4) is bonded to one Li(2), one Nb(2), one Nb(3), and one Co(1) atom to form distorted edge-sharing OLiNb2Co tetrahedra. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one Co(2), one Co(3), and one Te(2) atom. In the sixth O site, O(6) is bonded to one Li(3), one Nb(2), one Nb(3), and one Te(1) atom to form distorted OLiNb2Te tetrahedra that share  a cornercorner with one O(1)LiCo2Te tetrahedra,  a cornercorner with one O(3)LiNbCo2 tetrahedra, and  an edgeedge with one O(4)LiNb2Co tetrahedra. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Nb(2), one Nb(3), and one Co(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one Nb(2), and one Nb(3) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(3), one Nb(2), one Co(1), and one Te(1) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(3), one Nb(3), one Co(1), and one Te(1) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Nb(1), one Co(2), and one Te(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Nb(1), one Co(3), and one Te(1) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Li(1), one Nb(2), one Co(1), and one Te(2) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Li(1), one Nb(3), one Co(1), and one Te(2) atom. In the fifteenth O site, O(15) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(1), one Co(2), and one Te(2) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one Nb(1), one Co(3), and one Te(2) atom.