Cs3Sb is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded to four equivalent Cs(2) and four equivalent Sb(1) atoms to form a mixture of distorted face, corner, and edge-sharing CsCs4Sb4 tetrahedra. In the second Cs site, Cs(2) is bonded in a distorted body-centered cubic geometry to eight equivalent Cs(1) atoms. Sb(1) is bonded in a body-centered cubic geometry to eight equivalent Cs(1) atoms.
Cs3Sb is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded to four equivalent Cs(2) and four equivalent Sb(1) atoms to form a mixture of distorted face, corner, and edge-sharing CsCs4Sb4 tetrahedra. All Cs(1)-Cs(2) bond lengths are 4.00 Å. All Cs(1)-Sb(1) bond lengths are 4.00 Å. In the second Cs site, Cs(2) is bonded in a distorted body-centered cubic geometry to eight equivalent Cs(1) atoms. Sb(1) is bonded in a body-centered cubic geometry to eight equivalent Cs(1) atoms.