TlTe crystallizes in the tetragonal I4/mcm space group. Tl(1) is bonded in a 7-coordinate geometry to one Tl(1), two equivalent Te(1), and four equivalent Te(3) atoms. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a 10-coordinate geometry to eight equivalent Tl(1) and two equivalent Te(1) atoms. In the second Te site, Te(2) is bonded in a distorted hexagonal planar geometry to two equivalent Te(2) and four equivalent Te(3) atoms. In the third Te site, Te(3) is bonded in a 10-coordinate geometry to eight equivalent Tl(1) and two equivalent Te(2) atoms.
TlTe crystallizes in the tetragonal I4/mcm space group. Tl(1) is bonded in a 7-coordinate geometry to one Tl(1), two equivalent Te(1), and four equivalent Te(3) atoms. The Tl(1)-Tl(1) bond length is 3.60 Å. Both Tl(1)-Te(1) bond lengths are 3.51 Å. There are a spread of Tl(1)-Te(3) bond distances ranging from 3.46-3.61 Å. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a 10-coordinate geometry to eight equivalent Tl(1) and two equivalent Te(1) atoms. Both Te(1)-Te(1) bond lengths are 3.11 Å. In the second Te site, Te(2) is bonded in a distorted hexagonal planar geometry to two equivalent Te(2) and four equivalent Te(3) atoms. Both Te(2)-Te(2) bond lengths are 3.11 Å. All Te(2)-Te(3) bond lengths are 3.40 Å. In the third Te site, Te(3) is bonded in a 10-coordinate geometry to eight equivalent Tl(1) and two equivalent Te(2) atoms.