Tl2(PbO3)3 crystallizes in the tetragonal I-4m2 space group. Tl(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. In the second Pb site, Pb(2) is bonded in a distorted body-centered cubic geometry to four equivalent O(4) and four equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Tl(1) atoms to form OTl4 tetrahedra that share corners with four equivalent O(2)Tl2Pb2 tetrahedra, corners with four equivalent O(1)Tl4 tetrahedra, corners with eight equivalent O(3)Tl2Pb2 tetrahedra, and edges with two equivalent O(2)Tl2Pb2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Tl(1) and two equivalent Pb(1) atoms to form OTl2Pb2 tetrahedra that share corners with two equivalent O(4)Pb4 tetrahedra, corners with two equivalent O(1)Tl4 tetrahedra, corners with four equivalent O(5)Pb4 tetrahedra, corners with four equivalent O(2)Tl2Pb2 tetrahedra,  an edgeedge with one O(4)Pb4 tetrahedra,  an edgeedge with one O(1)Tl4 tetrahedra, and edges with four equivalent O(3)Tl2Pb2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Tl(1) and two equivalent Pb(1) atoms to form distorted OTl2Pb2 tetrahedra that share corners with two equivalent O(5)Pb4 tetrahedra, corners with four equivalent O(4)Pb4 tetrahedra, corners with four equivalent O(3)Tl2Pb2 tetrahedra, corners with four equivalent O(1)Tl4 tetrahedra,  an edgeedge with one O(5)Pb4 tetrahedra, and edges with four equivalent O(2)Tl2Pb2 tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Pb(1) and two equivalent Pb(2) atoms to form distorted OPb4 tetrahedra that share corners with two equivalent O(5)Pb4 tetrahedra, corners with two equivalent O(2)Tl2Pb2 tetrahedra, corners with four equivalent O(3)Tl2Pb2 tetrahedra, corners with eight equivalent O(4)Pb4 tetrahedra,  an edgeedge with one O(2)Tl2Pb2 tetrahedra, and edges with five equivalent O(5)Pb4 tetrahedra. In the fifth O site, O(5) is bonded to two equivalent Pb(1) and two equivalent Pb(2) atoms to form distorted OPb4 tetrahedra that share corners with two equivalent O(4)Pb4 tetrahedra, corners with two equivalent O(3)Tl2Pb2 tetrahedra, corners with four equivalent O(2)Tl2Pb2 tetrahedra, corners with eight equivalent O(5)Pb4 tetrahedra,  an edgeedge with one O(3)Tl2Pb2 tetrahedra, and edges with five equivalent O(4)Pb4 tetrahedra.
Tl2(PbO3)3 crystallizes in the tetragonal I-4m2 space group. Tl(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Both Tl(1)-O(1) bond lengths are 2.43 Å. Both Tl(1)-O(2) bond lengths are 2.50 Å. Both Tl(1)-O(3) bond lengths are 2.16 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a distorted body-centered cubic geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. Both Pb(1)-O(2) bond lengths are 2.21 Å. Both Pb(1)-O(3) bond lengths are 2.57 Å. Both Pb(1)-O(4) bond lengths are 2.55 Å. Both Pb(1)-O(5) bond lengths are 2.21 Å. In the second Pb site, Pb(2) is bonded in a distorted body-centered cubic geometry to four equivalent O(4) and four equivalent O(5) atoms. All Pb(2)-O(4) bond lengths are 2.21 Å. All Pb(2)-O(5) bond lengths are 2.55 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Tl(1) atoms to form OTl4 tetrahedra that share corners with four equivalent O(2)Tl2Pb2 tetrahedra, corners with four equivalent O(1)Tl4 tetrahedra, corners with eight equivalent O(3)Tl2Pb2 tetrahedra, and edges with two equivalent O(2)Tl2Pb2 tetrahedra. In the second O site, O(2) is bonded to two equivalent Tl(1) and two equivalent Pb(1) atoms to form OTl2Pb2 tetrahedra that share corners with two equivalent O(4)Pb4 tetrahedra, corners with two equivalent O(1)Tl4 tetrahedra, corners with four equivalent O(5)Pb4 tetrahedra, corners with four equivalent O(2)Tl2Pb2 tetrahedra,  an edgeedge with one O(4)Pb4 tetrahedra,  an edgeedge with one O(1)Tl4 tetrahedra, and edges with four equivalent O(3)Tl2Pb2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Tl(1) and two equivalent Pb(1) atoms to form distorted OTl2Pb2 tetrahedra that share corners with two equivalent O(5)Pb4 tetrahedra, corners with four equivalent O(4)Pb4 tetrahedra, corners with four equivalent O(3)Tl2Pb2 tetrahedra, corners with four equivalent O(1)Tl4 tetrahedra,  an edgeedge with one O(5)Pb4 tetrahedra, and edges with four equivalent O(2)Tl2Pb2 tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Pb(1) and two equivalent Pb(2) atoms to form distorted OPb4 tetrahedra that share corners with two equivalent O(5)Pb4 tetrahedra, corners with two equivalent O(2)Tl2Pb2 tetrahedra, corners with four equivalent O(3)Tl2Pb2 tetrahedra, corners with eight equivalent O(4)Pb4 tetrahedra,  an edgeedge with one O(2)Tl2Pb2 tetrahedra, and edges with five equivalent O(5)Pb4 tetrahedra. In the fifth O site, O(5) is bonded to two equivalent Pb(1) and two equivalent Pb(2) atoms to form distorted OPb4 tetrahedra that share corners with two equivalent O(4)Pb4 tetrahedra, corners with two equivalent O(3)Tl2Pb2 tetrahedra, corners with four equivalent O(2)Tl2Pb2 tetrahedra, corners with eight equivalent O(5)Pb4 tetrahedra,  an edgeedge with one O(3)Tl2Pb2 tetrahedra, and edges with five equivalent O(4)Pb4 tetrahedra.