Tl4CdI6 crystallizes in the tetragonal P4/mnc space group. Cd(1) is bonded in an octahedral geometry to two equivalent I(2) and four equivalent I(1) atoms. Tl(1) is bonded in a 4-coordinate geometry to two equivalent I(1) and two equivalent I(2) atoms. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one Cd(1) and two equivalent Tl(1) atoms. In the second I site, I(2) is bonded in a single-bond geometry to one Cd(1) and four equivalent Tl(1) atoms.
Tl4CdI6 crystallizes in the tetragonal P4/mnc space group. Cd(1) is bonded in an octahedral geometry to two equivalent I(2) and four equivalent I(1) atoms. Both Cd(1)-I(2) bond lengths are 2.89 Å. All Cd(1)-I(1) bond lengths are 3.16 Å. Tl(1) is bonded in a 4-coordinate geometry to two equivalent I(1) and two equivalent I(2) atoms. Both Tl(1)-I(1) bond lengths are 3.50 Å. Both Tl(1)-I(2) bond lengths are 3.59 Å. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one Cd(1) and two equivalent Tl(1) atoms. In the second I site, I(2) is bonded in a single-bond geometry to one Cd(1) and four equivalent Tl(1) atoms.