Li4V3Ni3(TeO8)2 is Hausmannite-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 V(1)O6 octahedra, corners with two equivalent V(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 50-67°. 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 V(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-61°. There are two inequivalent V sites. In the first V site, V(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 distorted VO6 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, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-60°. In the second V site, V(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form distorted VO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Te(2)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. 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, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. 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  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 V(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms. 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 distorted TeO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-60°. 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 V(2), one Ni(2), and one Te(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(4), two equivalent V(1), and one Te(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent V(1), and one Ni(1) atom. In the fourth O site, O(4) is bonded to one Li(3), two equivalent V(1), and one Ni(1) atom to form edge-sharing OLiV2Ni tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one V(2), and two equivalent Ni(2) atoms to form OLiVNi2 tetrahedra that share  a cornercorner with one O(7)LiV2Te tetrahedra and corners with two equivalent O(12)LiNi2Te tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(4), one V(1), one Ni(1), and one Te(1) atom. In the seventh O site, O(7) is bonded to one Li(2), two equivalent V(1), and one Te(2) atom to form distorted OLiV2Te tetrahedra that share  a cornercorner with one O(12)LiNi2Te tetrahedra,  a cornercorner with one O(5)LiVNi2 tetrahedra, and  an edgeedge with one O(4)LiV2Ni tetrahedra. 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 V(2), one Ni(2), and one Te(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one V(2), and two equivalent Ni(2) atoms. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(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 OLiNi2Te tetrahedra that share  a cornercorner with one O(7)LiV2Te tetrahedra and corners with two equivalent O(5)LiVNi2 tetrahedra.
Li4V3Ni3(TeO8)2 is Hausmannite-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 V(1)O6 octahedra, corners with two equivalent V(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 50-67°. The Li(1)-O(12) bond length is 1.93 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 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 1.93 Å. The Li(2)-O(7) bond length is 1.96 Å. Both Li(2)-O(11) bond lengths are 1.97 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 1.95 Å. The Li(3)-O(8) bond length is 2.00 Å. Both Li(3)-O(1) bond lengths are 2.01 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 V(2)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-61°. The Li(4)-O(10) bond length is 2.08 Å. The Li(4)-O(2) bond length is 2.02 Å. Both Li(4)-O(6) bond lengths are 2.01 Å. There are two inequivalent V sites. In the first V site, V(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 distorted VO6 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, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-60°. The V(1)-O(11) bond length is 2.19 Å. The V(1)-O(2) bond length is 1.96 Å. The V(1)-O(3) bond length is 1.95 Å. The V(1)-O(4) bond length is 2.00 Å. The V(1)-O(6) bond length is 1.74 Å. The V(1)-O(7) bond length is 1.95 Å. In the second V site, V(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form distorted VO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Te(2)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The V(2)-O(10) bond length is 1.87 Å. The V(2)-O(5) bond length is 1.88 Å. Both V(2)-O(1) bond lengths are 2.23 Å. Both V(2)-O(9) bond lengths are 1.78 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, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. The Ni(1)-O(3) bond length is 2.11 Å. The Ni(1)-O(4) bond length is 2.06 Å. Both Ni(1)-O(11) bond lengths are 2.09 Å. Both Ni(1)-O(6) bond lengths are 2.09 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  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 V(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The Ni(2)-O(1) bond length is 2.12 Å. The Ni(2)-O(10) bond length is 2.08 Å. The Ni(2)-O(12) bond length is 2.10 Å. The Ni(2)-O(5) bond length is 2.01 Å. The Ni(2)-O(8) bond length is 2.07 Å. The Ni(2)-O(9) bond length is 2.11 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms. The Te(1)-O(2) bond length is 2.58 Å. The Te(1)-O(8) bond length is 1.98 Å. Both Te(1)-O(1) bond lengths are 1.93 Å. Both Te(1)-O(6) bond lengths are 2.60 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 distorted TeO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent V(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, and edges with two equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-60°. The Te(2)-O(12) bond length is 2.02 Å. The Te(2)-O(7) bond length is 2.42 Å. Both Te(2)-O(11) bond lengths are 1.97 Å. Both Te(2)-O(9) bond lengths are 2.44 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 V(2), one Ni(2), and one Te(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(4), two equivalent V(1), and one Te(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent V(1), and one Ni(1) atom. In the fourth O site, O(4) is bonded to one Li(3), two equivalent V(1), and one Ni(1) atom to form edge-sharing OLiV2Ni tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one V(2), and two equivalent Ni(2) atoms to form OLiVNi2 tetrahedra that share  a cornercorner with one O(7)LiV2Te tetrahedra and corners with two equivalent O(12)LiNi2Te tetrahedra. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(4), one V(1), one Ni(1), and one Te(1) atom. In the seventh O site, O(7) is bonded to one Li(2), two equivalent V(1), and one Te(2) atom to form distorted OLiV2Te tetrahedra that share  a cornercorner with one O(12)LiNi2Te tetrahedra,  a cornercorner with one O(5)LiVNi2 tetrahedra, and  an edgeedge with one O(4)LiV2Ni tetrahedra. 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 V(2), one Ni(2), and one Te(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(4), one V(2), and two equivalent Ni(2) atoms. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(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 OLiNi2Te tetrahedra that share  a cornercorner with one O(7)LiV2Te tetrahedra and corners with two equivalent O(5)LiVNi2 tetrahedra.