Li4NbWTe2O12 is Ilmenite-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 in a 6-coordinate geometry to one O(1), one O(11), one O(4), one O(7), one O(8), and one O(9) atom. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(2), one O(3), one O(5), and one O(6) atom to form distorted LiO6 octahedra that share corners with two equivalent Te(1)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-65°. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(5), one O(6), one O(8), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(3), one O(4), and one O(7) atom. Nb(1) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form NbO6 octahedra that share corners with four equivalent Te(1)O6 octahedra and  an edgeedge with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-45°. W(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom to form distorted WO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-44°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form distorted TeO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent W(1)O6 octahedra, and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-65°. In the second Te site, Te(2) is bonded in a 6-coordinate geometry to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(4), one Nb(1), and one Te(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one W(1), and one Te(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one W(1), and one Te(2) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(4), one Nb(1), and one Te(1) atom to form distorted corner-sharing OLi2NbTe trigonal pyramids. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one W(1), and one Te(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Nb(1), and one Te(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one Nb(1), and one Te(2) atom. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one W(1), and one Te(2) atom to form distorted corner-sharing OLi2TeW trigonal pyramids. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one Nb(1), and one Te(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one W(1), and one Te(2) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(4), one W(1), and one Te(1) atom. In the twelfth O site, O(12) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(4), one Nb(1), and one Te(1) atom.
Li4NbWTe2O12 is Ilmenite-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 in a 6-coordinate geometry to one O(1), one O(11), one O(4), one O(7), one O(8), and one O(9) atom. The Li(1)-O(1) bond length is 2.39 Å. The Li(1)-O(11) bond length is 2.49 Å. The Li(1)-O(4) bond length is 2.06 Å. The Li(1)-O(7) bond length is 2.04 Å. The Li(1)-O(8) bond length is 2.08 Å. The Li(1)-O(9) bond length is 2.39 Å. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(2), one O(3), one O(5), and one O(6) atom to form distorted LiO6 octahedra that share corners with two equivalent Te(1)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-65°. The Li(2)-O(10) bond length is 2.05 Å. The Li(2)-O(12) bond length is 2.11 Å. The Li(2)-O(2) bond length is 2.09 Å. The Li(2)-O(3) bond length is 2.40 Å. The Li(2)-O(5) bond length is 2.37 Å. The Li(2)-O(6) bond length is 2.24 Å. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(5), one O(6), one O(8), and one O(9) atom. The Li(3)-O(10) bond length is 2.53 Å. The Li(3)-O(2) bond length is 2.31 Å. The Li(3)-O(5) bond length is 2.00 Å. The Li(3)-O(6) bond length is 2.00 Å. The Li(3)-O(8) bond length is 2.45 Å. The Li(3)-O(9) bond length is 2.05 Å. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(3), one O(4), and one O(7) atom. The Li(4)-O(1) bond length is 2.04 Å. The Li(4)-O(11) bond length is 2.04 Å. The Li(4)-O(12) bond length is 2.43 Å. The Li(4)-O(3) bond length is 2.05 Å. The Li(4)-O(4) bond length is 2.28 Å. The Li(4)-O(7) bond length is 2.57 Å. Nb(1) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form NbO6 octahedra that share corners with four equivalent Te(1)O6 octahedra and  an edgeedge with one Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-45°. The Nb(1)-O(1) bond length is 1.99 Å. The Nb(1)-O(12) bond length is 2.10 Å. The Nb(1)-O(4) bond length is 2.17 Å. The Nb(1)-O(6) bond length is 1.84 Å. The Nb(1)-O(7) bond length is 2.18 Å. The Nb(1)-O(9) bond length is 1.96 Å. W(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom to form distorted WO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and edges with two equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-44°. The W(1)-O(10) bond length is 2.10 Å. The W(1)-O(11) bond length is 1.86 Å. The W(1)-O(2) bond length is 2.22 Å. The W(1)-O(3) bond length is 1.83 Å. The W(1)-O(5) bond length is 1.83 Å. The W(1)-O(8) bond length is 2.09 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form distorted TeO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent W(1)O6 octahedra, and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-65°. The Te(1)-O(1) bond length is 2.11 Å. The Te(1)-O(11) bond length is 2.44 Å. The Te(1)-O(12) bond length is 2.00 Å. The Te(1)-O(2) bond length is 1.96 Å. The Te(1)-O(4) bond length is 1.99 Å. The Te(1)-O(9) bond length is 2.16 Å. In the second Te site, Te(2) is bonded in a 6-coordinate geometry to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. The Te(2)-O(10) bond length is 1.97 Å. The Te(2)-O(3) bond length is 2.55 Å. The Te(2)-O(5) bond length is 2.56 Å. The Te(2)-O(6) bond length is 2.52 Å. The Te(2)-O(7) bond length is 1.92 Å. The Te(2)-O(8) bond length is 1.99 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(4), one Nb(1), and one Te(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one W(1), and one Te(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one W(1), and one Te(2) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(4), one Nb(1), and one Te(1) atom to form distorted corner-sharing OLi2NbTe trigonal pyramids. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one W(1), and one Te(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Nb(1), and one Te(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one Nb(1), and one Te(2) atom. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one W(1), and one Te(2) atom to form distorted corner-sharing OLi2TeW trigonal pyramids. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one Nb(1), and one Te(1) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one W(1), and one Te(2) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(4), one W(1), and one Te(1) atom. In the twelfth O site, O(12) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(4), one Nb(1), and one Te(1) atom.