IrTl3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Ir(1) is bonded in a body-centered cubic geometry to eight equivalent Tl(1) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to four equivalent Ir(1) and four equivalent Tl(2) atoms to form a mixture of distorted corner, edge, and face-sharing TlTl4Ir4 tetrahedra. In the second Tl site, Tl(2) is bonded in a distorted body-centered cubic geometry to eight equivalent Tl(1) atoms.
IrTl3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Ir(1) is bonded in a body-centered cubic geometry to eight equivalent Tl(1) atoms. All Ir(1)-Tl(1) bond lengths are 3.15 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded to four equivalent Ir(1) and four equivalent Tl(2) atoms to form a mixture of distorted corner, edge, and face-sharing TlTl4Ir4 tetrahedra. All Tl(1)-Tl(2) bond lengths are 3.15 Å. In the second Tl site, Tl(2) is bonded in a distorted body-centered cubic geometry to eight equivalent Tl(1) atoms.