Li2WTeO6 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form LiO4 tetrahedra that share corners with four equivalent W(1)O6 octahedra and corners with three equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 18-69°. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO5 trigonal bipyramids that share corners with three equivalent W(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, and  an edgeedge with one W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-67°. W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted WO6 octahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O5 trigonal bipyramids, and  an edgeedge with one Li(2)O5 trigonal bipyramid. Te(1) is bonded in a 3-coordinate geometry to one O(3), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(5) is bonded in a tetrahedral geometry to one Li(1), one Li(2), one W(1), and one Te(1) atom. In the second O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one W(1), and one Te(1) atom. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one W(1) atom. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to one Li(1) and one W(1) atom. In the fifth O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one W(1), and one Te(1) atom. In the sixth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one W(1), and one Te(1) atom.
Li2WTeO6 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form LiO4 tetrahedra that share corners with four equivalent W(1)O6 octahedra and corners with three equivalent Li(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 18-69°. The Li(1)-O(1) bond length is 2.00 Å. The Li(1)-O(2) bond length is 1.94 Å. The Li(1)-O(3) bond length is 1.95 Å. The Li(1)-O(5) bond length is 2.15 Å. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO5 trigonal bipyramids that share corners with three equivalent W(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, and  an edgeedge with one W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-67°. The Li(2)-O(1) bond length is 1.97 Å. The Li(2)-O(3) bond length is 2.28 Å. The Li(2)-O(4) bond length is 2.22 Å. The Li(2)-O(5) bond length is 2.18 Å. The Li(2)-O(6) bond length is 2.16 Å. W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted WO6 octahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O5 trigonal bipyramids, and  an edgeedge with one Li(2)O5 trigonal bipyramid. The W(1)-O(1) bond length is 1.80 Å. The W(1)-O(2) bond length is 1.81 Å. The W(1)-O(3) bond length is 1.85 Å. The W(1)-O(4) bond length is 2.11 Å. The W(1)-O(5) bond length is 2.14 Å. The W(1)-O(6) bond length is 2.31 Å. Te(1) is bonded in a 3-coordinate geometry to one O(3), one O(4), one O(5), and one O(6) atom. The Te(1)-O(3) bond length is 2.49 Å. The Te(1)-O(4) bond length is 1.96 Å. The Te(1)-O(5) bond length is 1.96 Å. The Te(1)-O(6) bond length is 1.91 Å. There are six inequivalent O sites. In the first O site, O(5) is bonded in a tetrahedral geometry to one Li(1), one Li(2), one W(1), and one Te(1) atom. In the second O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one W(1), and one Te(1) atom. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Li(2), and one W(1) atom. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to one Li(1) and one W(1) atom. In the fifth O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one W(1), and one Te(1) atom. In the sixth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one W(1), and one Te(1) atom.