Cs8Tl8O crystallizes in the trigonal R-3 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to six equivalent Tl(2) atoms. In the second Cs site, Cs(2) is bonded in a single-bond geometry to two equivalent Tl(1), three equivalent Tl(2), and one O(1) atom. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 9-coordinate geometry to six equivalent Cs(2) and three equivalent Tl(2) atoms. In the second Tl site, Tl(2) is bonded in a 10-coordinate geometry to two equivalent Cs(1), three equivalent Cs(2), one Tl(1), and four equivalent Tl(2) atoms. O(1) is bonded in an octahedral geometry to six equivalent Cs(2) atoms.
Cs8Tl8O crystallizes in the trigonal R-3 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 6-coordinate geometry to six equivalent Tl(2) atoms. There are three shorter (3.89 Å) and three longer (3.96 Å) Cs(1)-Tl(2) bond lengths. In the second Cs site, Cs(2) is bonded in a single-bond geometry to two equivalent Tl(1), three equivalent Tl(2), and one O(1) atom. There is one shorter (3.95 Å) and one longer (4.25 Å) Cs(2)-Tl(1) bond length. There are a spread of Cs(2)-Tl(2) bond distances ranging from 4.10-4.35 Å. The Cs(2)-O(1) bond length is 2.92 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 9-coordinate geometry to six equivalent Cs(2) and three equivalent Tl(2) atoms. All Tl(1)-Tl(2) bond lengths are 3.16 Å. In the second Tl site, Tl(2) is bonded in a 10-coordinate geometry to two equivalent Cs(1), three equivalent Cs(2), one Tl(1), and four equivalent Tl(2) atoms. There are two shorter (3.15 Å) and two longer (3.29 Å) Tl(2)-Tl(2) bond lengths. O(1) is bonded in an octahedral geometry to six equivalent Cs(2) atoms.