Tl4SnTe3 crystallizes in the tetragonal I4/mcm space group. Tl(1) is bonded in a 1-coordinate geometry to three equivalent Te(1) atoms. Sn(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form corner-sharing SnTe6 octahedra. The corner-sharing octahedral tilt angles range from 0-37°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 8-coordinate geometry to six equivalent Tl(1) and two equivalent Sn(1) atoms. In the second Te site, Te(2) is bonded in a linear geometry to two equivalent Sn(1) atoms.
Tl4SnTe3 crystallizes in the tetragonal I4/mcm space group. Tl(1) is bonded in a 1-coordinate geometry to three equivalent Te(1) atoms. There is one shorter (3.19 Å) and two longer (3.50 Å) Tl(1)-Te(1) bond lengths. Sn(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form corner-sharing SnTe6 octahedra. The corner-sharing octahedral tilt angles range from 0-37°. Both Sn(1)-Te(2) bond lengths are 3.34 Å. All Sn(1)-Te(1) bond lengths are 3.33 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 8-coordinate geometry to six equivalent Tl(1) and two equivalent Sn(1) atoms. In the second Te site, Te(2) is bonded in a linear geometry to two equivalent Sn(1) atoms.