Tl6SBr4 is Krennerite-derived structured and crystallizes in the tetragonal P4/mnc space group. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted single-bond geometry to one S(1) and four equivalent Br(1) atoms. In the second Tl site, Tl(2) is bonded in a distorted single-bond geometry to one S(1) and four equivalent Br(1) atoms. S(1) is bonded in an octahedral geometry to two equivalent Tl(2) and four equivalent Tl(1) atoms. Br(1) is bonded in a 6-coordinate geometry to two equivalent Tl(2) and four equivalent Tl(1) atoms.
Tl6SBr4 is Krennerite-derived structured and crystallizes in the tetragonal P4/mnc space group. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted single-bond geometry to one S(1) and four equivalent Br(1) atoms. The Tl(1)-S(1) bond length is 2.98 Å. There are two shorter (3.39 Å) and two longer (3.45 Å) Tl(1)-Br(1) bond lengths. In the second Tl site, Tl(2) is bonded in a distorted single-bond geometry to one S(1) and four equivalent Br(1) atoms. The Tl(2)-S(1) bond length is 2.87 Å. All Tl(2)-Br(1) bond lengths are 3.38 Å. S(1) is bonded in an octahedral geometry to two equivalent Tl(2) and four equivalent Tl(1) atoms. Br(1) is bonded in a 6-coordinate geometry to two equivalent Tl(2) and four equivalent Tl(1) atoms.