Cs2PdBi2 crystallizes in the orthorhombic Cmcm 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 4-coordinate geometry to two equivalent Pd(1) and six equivalent Bi(1) atoms. Pd(1) is bonded to two equivalent Cs(2) and four equivalent Bi(1) atoms to form distorted face-sharing PdCs2Bi4 octahedra. Bi(1) is bonded in a 9-coordinate geometry to three equivalent Cs(1), three equivalent Cs(2), two equivalent Pd(1), and one Bi(1) atom.
Cs2PdBi2 crystallizes in the orthorhombic Cmcm 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 two shorter (3.97 Å) and four longer (4.25 Å) Cs(1)-Bi(1) bond lengths. In the second Cs site, Cs(2) is bonded in a 4-coordinate geometry to two equivalent Pd(1) and six equivalent Bi(1) atoms. Both Cs(2)-Pd(1) bond lengths are 3.46 Å. There are two shorter (3.99 Å) and four longer (4.07 Å) Cs(2)-Bi(1) bond lengths. Pd(1) is bonded to two equivalent Cs(2) and four equivalent Bi(1) atoms to form distorted face-sharing PdCs2Bi4 octahedra. All Pd(1)-Bi(1) bond lengths are 2.76 Å. Bi(1) is bonded in a 9-coordinate geometry to three equivalent Cs(1), three equivalent Cs(2), two equivalent Pd(1), and one Bi(1) atom. The Bi(1)-Bi(1) bond length is 2.96 Å.