Tl2TeO6 is Hydrophilite-derived structured and crystallizes in the trigonal P321 space group. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TlO6 octahedra that share corners with two equivalent Te(2)O6 octahedra, corners with six equivalent Tl(2)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. In the second Tl site, Tl(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TlO6 octahedra that share corners with four equivalent Te(1)O6 octahedra, corners with six equivalent Tl(1)O6 octahedra, and  an edgeedge with one Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TeO6 octahedra that share corners with six equivalent Tl(2)O6 octahedra and edges with three equivalent Tl(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second Te site, Te(2) is bonded to six equivalent O(3) atoms to form TeO6 octahedra that share corners with six equivalent Tl(1)O6 octahedra and edges with three equivalent Tl(2)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Tl(1), one Tl(2), and one Te(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Tl(1), one Tl(2), and one Te(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Tl(1), one Tl(2), and one Te(2) atom.
Tl2TeO6 is Hydrophilite-derived structured and crystallizes in the trigonal P321 space group. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TlO6 octahedra that share corners with two equivalent Te(2)O6 octahedra, corners with six equivalent Tl(2)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-57°. Both Tl(1)-O(1) bond lengths are 2.26 Å. Both Tl(1)-O(2) bond lengths are 2.31 Å. Both Tl(1)-O(3) bond lengths are 2.18 Å. In the second Tl site, Tl(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TlO6 octahedra that share corners with four equivalent Te(1)O6 octahedra, corners with six equivalent Tl(1)O6 octahedra, and  an edgeedge with one Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. Both Tl(2)-O(1) bond lengths are 2.29 Å. Both Tl(2)-O(2) bond lengths are 2.22 Å. Both Tl(2)-O(3) bond lengths are 2.34 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TeO6 octahedra that share corners with six equivalent Tl(2)O6 octahedra and edges with three equivalent Tl(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. All Te(1)-O(1) bond lengths are 1.93 Å. All Te(1)-O(2) bond lengths are 1.94 Å. In the second Te site, Te(2) is bonded to six equivalent O(3) atoms to form TeO6 octahedra that share corners with six equivalent Tl(1)O6 octahedra and edges with three equivalent Tl(2)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Te(2)-O(3) bond lengths are 1.92 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Tl(1), one Tl(2), and one Te(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Tl(1), one Tl(2), and one Te(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Tl(1), one Tl(2), and one Te(2) atom.