Tl7Sb2 crystallizes in the cubic Im-3m space group. The structure consists of a Tl7Sb2 framework. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted L-shaped geometry to two equivalent Sb(1) atoms. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one Tl(3) and three equivalent Sb(1) atoms. In the third Tl site, Tl(3) is bonded in a 14-coordinate geometry to eight equivalent Tl(2) and six equivalent Sb(1) atoms. Sb(1) is bonded in a distorted body-centered cubic geometry to one Tl(3), four equivalent Tl(1), and four equivalent Tl(2) atoms.
Tl7Sb2 crystallizes in the cubic Im-3m space group. The structure consists of a Tl7Sb2 framework. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a distorted L-shaped geometry to two equivalent Sb(1) atoms. Both Tl(1)-Sb(1) bond lengths are 3.40 Å. In the second Tl site, Tl(2) is bonded in a 3-coordinate geometry to one Tl(3) and three equivalent Sb(1) atoms. The Tl(2)-Tl(3) bond length is 3.49 Å. All Tl(2)-Sb(1) bond lengths are 3.26 Å. In the third Tl site, Tl(3) is bonded in a 14-coordinate geometry to eight equivalent Tl(2) and six equivalent Sb(1) atoms. All Tl(3)-Sb(1) bond lengths are 3.60 Å. Sb(1) is bonded in a distorted body-centered cubic geometry to one Tl(3), four equivalent Tl(1), and four equivalent Tl(2) atoms.