Tl(IO3)3 crystallizes in the triclinic P-1 space group. Tl(1) is bonded in a 4-coordinate geometry to one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one I(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one I(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one I(3) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Tl(1) and two equivalent I(1) atoms. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Tl(1) and one I(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Tl(1) and one I(3) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Tl(1) and one I(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Tl(1) and one I(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Tl(1), one I(2), and one I(3) atom. There are three inequivalent I sites. In the first I site, I(1) is bonded in a distorted water-like geometry to one O(1), one O(7), and two equivalent O(4) atoms. In the second I site, I(2) is bonded in a 2-coordinate geometry to one O(2), one O(5), one O(8), and one O(9) atom. In the third I site, I(3) is bonded in a 2-coordinate geometry to one O(3), one O(6), and one O(9) atom.
Tl(IO3)3 crystallizes in the triclinic P-1 space group. Tl(1) is bonded in a 4-coordinate geometry to one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. The Tl(1)-O(4) bond length is 2.65 Å. The Tl(1)-O(5) bond length is 2.19 Å. The Tl(1)-O(6) bond length is 1.87 Å. The Tl(1)-O(7) bond length is 2.34 Å. The Tl(1)-O(8) bond length is 1.88 Å. The Tl(1)-O(9) bond length is 2.79 Å. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one I(1) atom. The O(1)-I(1) bond length is 1.28 Å. In the second O site, O(2) is bonded in a single-bond geometry to one I(2) atom. The O(2)-I(2) bond length is 1.33 Å. In the third O site, O(3) is bonded in a single-bond geometry to one I(3) atom. The O(3)-I(3) bond length is 1.39 Å. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Tl(1) and two equivalent I(1) atoms. There is one shorter (2.36 Å) and one longer (2.58 Å) O(4)-I(1) bond length. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Tl(1) and one I(2) atom. The O(5)-I(2) bond length is 1.84 Å. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Tl(1) and one I(3) atom. The O(6)-I(3) bond length is 1.84 Å. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Tl(1) and one I(1) atom. The O(7)-I(1) bond length is 1.52 Å. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Tl(1) and one I(2) atom. The O(8)-I(2) bond length is 2.30 Å. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Tl(1), one I(2), and one I(3) atom. The O(9)-I(2) bond length is 2.69 Å. The O(9)-I(3) bond length is 2.44 Å. There are three inequivalent I sites. In the first I site, I(1) is bonded in a distorted water-like geometry to one O(1), one O(7), and two equivalent O(4) atoms. In the second I site, I(2) is bonded in a 2-coordinate geometry to one O(2), one O(5), one O(8), and one O(9) atom. In the third I site, I(3) is bonded in a 2-coordinate geometry to one O(3), one O(6), and one O(9) atom.