TlTe crystallizes in the tetragonal P4_2/nmc space group. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 5-coordinate geometry to one Te(4), two equivalent Te(1), and two equivalent Te(5) atoms. In the second Tl site, Tl(2) is bonded in a 7-coordinate geometry to one Tl(2), one Te(5), two equivalent Te(1), and three equivalent Te(4) atoms. There are five inequivalent Te sites. In the first Te site, Te(1) is bonded in a 10-coordinate geometry to four equivalent Tl(1), four equivalent Tl(2), and two equivalent Te(1) atoms. In the second Te site, Te(2) is bonded in a square co-planar geometry to two equivalent Te(2) and two equivalent Te(5) atoms. In the third Te site, Te(3) is bonded in a square co-planar geometry to two equivalent Te(3) and two equivalent Te(4) atoms. In the fourth Te site, Te(4) is bonded in a 5-coordinate geometry to two equivalent Tl(1), six equivalent Tl(2), and one Te(3) atom. In the fifth Te site, Te(5) is bonded in a 7-coordinate geometry to two equivalent Tl(2), four equivalent Tl(1), and one Te(2) atom.
TlTe crystallizes in the tetragonal P4_2/nmc space group. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 5-coordinate geometry to one Te(4), two equivalent Te(1), and two equivalent Te(5) atoms. The Tl(1)-Te(4) bond length is 3.49 Å. There is one shorter (3.52 Å) and one longer (3.56 Å) Tl(1)-Te(1) bond length. There is one shorter (3.50 Å) and one longer (3.56 Å) Tl(1)-Te(5) bond length. In the second Tl site, Tl(2) is bonded in a 7-coordinate geometry to one Tl(2), one Te(5), two equivalent Te(1), and three equivalent Te(4) atoms. The Tl(2)-Tl(2) bond length is 3.58 Å. The Tl(2)-Te(5) bond length is 3.50 Å. Both Tl(2)-Te(1) bond lengths are 3.55 Å. There are a spread of Tl(2)-Te(4) bond distances ranging from 3.50-3.63 Å. There are five inequivalent Te sites. In the first Te site, Te(1) is bonded in a 10-coordinate geometry to four equivalent Tl(1), four equivalent Tl(2), and two equivalent Te(1) atoms. Both Te(1)-Te(1) bond lengths are 3.15 Å. In the second Te site, Te(2) is bonded in a square co-planar geometry to two equivalent Te(2) and two equivalent Te(5) atoms. There is one shorter (3.01 Å) and one longer (3.28 Å) Te(2)-Te(2) bond length. Both Te(2)-Te(5) bond lengths are 3.04 Å. In the third Te site, Te(3) is bonded in a square co-planar geometry to two equivalent Te(3) and two equivalent Te(4) atoms. Both Te(3)-Te(3) bond lengths are 3.15 Å. Both Te(3)-Te(4) bond lengths are 3.04 Å. In the fourth Te site, Te(4) is bonded in a 5-coordinate geometry to two equivalent Tl(1), six equivalent Tl(2), and one Te(3) atom. In the fifth Te site, Te(5) is bonded in a 7-coordinate geometry to two equivalent Tl(2), four equivalent Tl(1), and one Te(2) atom.