Cs12Sn2Sb6O crystallizes in the trigonal P-3m1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 10-coordinate geometry to two equivalent Cs(1), two equivalent Sn(1), and six equivalent Sb(1) atoms. In the second Cs site, Cs(2) is bonded in a distorted single-bond geometry to four equivalent Sb(1) and one O(1) atom. Sn(1) is bonded in a distorted trigonal planar geometry to six equivalent Cs(1) and three equivalent Sb(1) atoms. Sb(1) is bonded in a 11-coordinate geometry to four equivalent Cs(2), six equivalent Cs(1), and one Sn(1) atom. O(1) is bonded in an octahedral geometry to six equivalent Cs(2) atoms.
Cs12Sn2Sb6O crystallizes in the trigonal P-3m1 space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 10-coordinate geometry to two equivalent Cs(1), two equivalent Sn(1), and six equivalent Sb(1) atoms. There is one shorter (3.89 Å) and one longer (3.90 Å) Cs(1)-Cs(1) bond length. There is one shorter (4.27 Å) and one longer (4.28 Å) Cs(1)-Sn(1) bond length. There are two shorter (4.26 Å) and four longer (4.28 Å) Cs(1)-Sb(1) bond lengths. In the second Cs site, Cs(2) is bonded in a distorted single-bond geometry to four equivalent Sb(1) and one O(1) atom. There are a spread of Cs(2)-Sb(1) bond distances ranging from 3.85-4.25 Å. The Cs(2)-O(1) bond length is 3.03 Å. Sn(1) is bonded in a distorted trigonal planar geometry to six equivalent Cs(1) and three equivalent Sb(1) atoms. All Sn(1)-Sb(1) bond lengths are 2.78 Å. Sb(1) is bonded in a 11-coordinate geometry to four equivalent Cs(2), six equivalent Cs(1), and one Sn(1) atom. O(1) is bonded in an octahedral geometry to six equivalent Cs(2) atoms.