Bi2Cs3 crystallizes in the monoclinic C2/c 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 Bi(1) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to six equivalent Bi(1) atoms. Bi(1) is bonded in a 10-coordinate geometry to three equivalent Cs(1), six equivalent Cs(2), and one Bi(1) atom.
Bi2Cs3 crystallizes in the monoclinic C2/c 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 Bi(1) atoms. There are four shorter (4.17 Å) and two longer (4.20 Å) Cs(1)-Bi(1) bond lengths. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to six equivalent Bi(1) atoms. There are a spread of Cs(2)-Bi(1) bond distances ranging from 3.91-4.27 Å. Bi(1) is bonded in a 10-coordinate geometry to three equivalent Cs(1), six equivalent Cs(2), and one Bi(1) atom. The Bi(1)-Bi(1) bond length is 2.97 Å.