Cu3Tl2(SeO3)6 crystallizes in the triclinic P-1 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(5), one O(6), one O(7), and two equivalent O(1) atoms to form distorted edge-sharing CuO5 square pyramids. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(4) atoms. Tl(1) is bonded in a 7-coordinate geometry to one O(3), one O(5), one O(6), one O(8), one O(9), and two equivalent O(2) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(3), and one O(6) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(4), one O(8), and one O(9) atom. In the third Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one O(2), one O(5), and one O(7) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Tl(1) and one Se(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cu(2), one Tl(1), and one Se(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(2) and one Se(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Cu(1), one Tl(1), and one Se(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Cu(1), one Tl(1), and one Se(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one Se(3) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one Tl(1) and one Se(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Tl(1) and one Se(2) atom.
Cu3Tl2(SeO3)6 crystallizes in the triclinic P-1 space group. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(5), one O(6), one O(7), and two equivalent O(1) atoms to form distorted edge-sharing CuO5 square pyramids. The Cu(1)-O(5) bond length is 2.27 Å. The Cu(1)-O(6) bond length is 1.99 Å. The Cu(1)-O(7) bond length is 1.95 Å. There is one shorter (2.00 Å) and one longer (2.06 Å) Cu(1)-O(1) bond length. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(4) atoms. Both Cu(2)-O(3) bond lengths are 1.96 Å. Both Cu(2)-O(4) bond lengths are 1.93 Å. Tl(1) is bonded in a 7-coordinate geometry to one O(3), one O(5), one O(6), one O(8), one O(9), and two equivalent O(2) atoms. The Tl(1)-O(3) bond length is 2.58 Å. The Tl(1)-O(5) bond length is 2.26 Å. The Tl(1)-O(6) bond length is 2.54 Å. The Tl(1)-O(8) bond length is 2.26 Å. The Tl(1)-O(9) bond length is 2.33 Å. There is one shorter (2.42 Å) and one longer (2.54 Å) Tl(1)-O(2) bond length. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(3), and one O(6) atom. The Se(1)-O(1) bond length is 1.77 Å. The Se(1)-O(3) bond length is 1.75 Å. The Se(1)-O(6) bond length is 1.76 Å. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(4), one O(8), and one O(9) atom. The Se(2)-O(4) bond length is 1.73 Å. The Se(2)-O(8) bond length is 1.73 Å. The Se(2)-O(9) bond length is 1.73 Å. In the third Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one O(2), one O(5), and one O(7) atom. The Se(3)-O(2) bond length is 1.72 Å. The Se(3)-O(5) bond length is 1.75 Å. The Se(3)-O(7) bond length is 1.73 Å. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Cu(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Tl(1) and one Se(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cu(2), one Tl(1), and one Se(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(2) and one Se(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Cu(1), one Tl(1), and one Se(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Cu(1), one Tl(1), and one Se(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one Se(3) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one Tl(1) and one Se(2) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Tl(1) and one Se(2) atom.