CdTl2Te4 crystallizes in the tetragonal I-42m space group. Cd(1) is bonded to four equivalent Te(1) atoms to form CdTe4 tetrahedra that share corners with eight equivalent Tl(1)Te4 tetrahedra. Tl(1) is bonded to four equivalent Te(1) atoms to form TlTe4 tetrahedra that share corners with four equivalent Cd(1)Te4 tetrahedra and corners with four equivalent Tl(1)Te4 tetrahedra. Te(1) is bonded in a trigonal non-coplanar geometry to one Cd(1) and two equivalent Tl(1) atoms.
CdTl2Te4 crystallizes in the tetragonal I-42m space group. Cd(1) is bonded to four equivalent Te(1) atoms to form CdTe4 tetrahedra that share corners with eight equivalent Tl(1)Te4 tetrahedra. All Cd(1)-Te(1) bond lengths are 2.88 Å. Tl(1) is bonded to four equivalent Te(1) atoms to form TlTe4 tetrahedra that share corners with four equivalent Cd(1)Te4 tetrahedra and corners with four equivalent Tl(1)Te4 tetrahedra. All Tl(1)-Te(1) bond lengths are 2.93 Å. Te(1) is bonded in a trigonal non-coplanar geometry to one Cd(1) and two equivalent Tl(1) atoms.