Tl5SbO5 crystallizes in the orthorhombic Cmc2_1 space group. There are six inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 3-coordinate geometry to one O(3) and two equivalent O(5) atoms. In the second Tl site, Tl(2) is bonded in a 2-coordinate geometry to two equivalent O(6) atoms. In the third Tl site, Tl(3) is bonded in a 3-coordinate geometry to one O(4), one O(5), and one O(6) atom. In the fourth Tl site, Tl(4) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. In the fifth Tl site, Tl(5) is bonded in a 3-coordinate geometry to one O(2), one O(4), and one O(7) atom. In the sixth Tl site, Tl(6) is bonded in a 3-coordinate geometry to one O(1), one O(5), and one O(6) atom. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(3), one O(4), two equivalent O(6), and two equivalent O(7) atoms to form edge-sharing SbO6 octahedra. In the second Sb site, Sb(2) is bonded to one O(1), one O(2), two equivalent O(5), and two equivalent O(7) atoms to form edge-sharing SbO6 octahedra. There are seven inequivalent O sites. In the first O site, O(7) is bonded in a 3-coordinate geometry to one Tl(5), one Sb(1), and one Sb(2) atom. In the second O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Tl(4), two equivalent Tl(6), and one Sb(2) atom. In the third O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Tl(4), two equivalent Tl(5), and one Sb(2) atom. In the fourth O site, O(3) is bonded to one Tl(1), two equivalent Tl(4), and one Sb(1) atom to form distorted corner-sharing OTl3Sb tetrahedra. In the fifth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Tl(3), two equivalent Tl(5), and one Sb(1) atom. In the sixth O site, O(5) is bonded to one Tl(1), one Tl(3), one Tl(6), and one Sb(2) atom to form a mixture of distorted edge and corner-sharing OTl3Sb tetrahedra. In the seventh O site, O(6) is bonded to one Tl(2), one Tl(3), one Tl(6), and one Sb(1) atom to form a mixture of distorted edge and corner-sharing OTl3Sb tetrahedra.
Tl5SbO5 crystallizes in the orthorhombic Cmc2_1 space group. There are six inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 3-coordinate geometry to one O(3) and two equivalent O(5) atoms. The Tl(1)-O(3) bond length is 2.44 Å. Both Tl(1)-O(5) bond lengths are 2.57 Å. In the second Tl site, Tl(2) is bonded in a 2-coordinate geometry to two equivalent O(6) atoms. Both Tl(2)-O(6) bond lengths are 2.51 Å. In the third Tl site, Tl(3) is bonded in a 3-coordinate geometry to one O(4), one O(5), and one O(6) atom. The Tl(3)-O(4) bond length is 2.74 Å. The Tl(3)-O(5) bond length is 2.47 Å. The Tl(3)-O(6) bond length is 2.49 Å. In the fourth Tl site, Tl(4) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. The Tl(4)-O(1) bond length is 2.51 Å. The Tl(4)-O(2) bond length is 2.75 Å. The Tl(4)-O(3) bond length is 2.43 Å. In the fifth Tl site, Tl(5) is bonded in a 3-coordinate geometry to one O(2), one O(4), and one O(7) atom. The Tl(5)-O(2) bond length is 2.50 Å. The Tl(5)-O(4) bond length is 2.44 Å. The Tl(5)-O(7) bond length is 2.59 Å. In the sixth Tl site, Tl(6) is bonded in a 3-coordinate geometry to one O(1), one O(5), and one O(6) atom. The Tl(6)-O(1) bond length is 2.74 Å. The Tl(6)-O(5) bond length is 2.51 Å. The Tl(6)-O(6) bond length is 2.49 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(3), one O(4), two equivalent O(6), and two equivalent O(7) atoms to form edge-sharing SbO6 octahedra. The Sb(1)-O(3) bond length is 1.98 Å. The Sb(1)-O(4) bond length is 2.00 Å. Both Sb(1)-O(6) bond lengths are 1.98 Å. Both Sb(1)-O(7) bond lengths are 2.06 Å. In the second Sb site, Sb(2) is bonded to one O(1), one O(2), two equivalent O(5), and two equivalent O(7) atoms to form edge-sharing SbO6 octahedra. The Sb(2)-O(1) bond length is 1.99 Å. The Sb(2)-O(2) bond length is 1.99 Å. Both Sb(2)-O(5) bond lengths are 1.99 Å. Both Sb(2)-O(7) bond lengths are 2.08 Å. There are seven inequivalent O sites. In the first O site, O(7) is bonded in a 3-coordinate geometry to one Tl(5), one Sb(1), and one Sb(2) atom. In the second O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Tl(4), two equivalent Tl(6), and one Sb(2) atom. In the third O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Tl(4), two equivalent Tl(5), and one Sb(2) atom. In the fourth O site, O(3) is bonded to one Tl(1), two equivalent Tl(4), and one Sb(1) atom to form distorted corner-sharing OTl3Sb tetrahedra. In the fifth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Tl(3), two equivalent Tl(5), and one Sb(1) atom. In the sixth O site, O(5) is bonded to one Tl(1), one Tl(3), one Tl(6), and one Sb(2) atom to form a mixture of distorted edge and corner-sharing OTl3Sb tetrahedra. In the seventh O site, O(6) is bonded to one Tl(2), one Tl(3), one Tl(6), and one Sb(1) atom to form a mixture of distorted edge and corner-sharing OTl3Sb tetrahedra.