Pd5Bi3 crystallizes in the hexagonal P-6m2 space group. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted body-centered cubic geometry to one Pd(1), one Pd(2), three equivalent Pd(3), and three equivalent Bi(2) atoms. In the second Pd site, Pd(2) is bonded in a 8-coordinate geometry to one Pd(1), one Pd(2), three equivalent Bi(1), and three equivalent Bi(2) atoms. In the third Pd site, Pd(3) is bonded in a 6-coordinate geometry to six equivalent Pd(1) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to six equivalent Pd(2) atoms. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to three equivalent Pd(1) and three equivalent Pd(2) atoms.
Pd5Bi3 crystallizes in the hexagonal P-6m2 space group. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a distorted body-centered cubic geometry to one Pd(1), one Pd(2), three equivalent Pd(3), and three equivalent Bi(2) atoms. The Pd(1)-Pd(1) bond length is 2.64 Å. The Pd(1)-Pd(2) bond length is 2.83 Å. All Pd(1)-Pd(3) bond lengths are 2.79 Å. All Pd(1)-Bi(2) bond lengths are 2.74 Å. In the second Pd site, Pd(2) is bonded in a 8-coordinate geometry to one Pd(1), one Pd(2), three equivalent Bi(1), and three equivalent Bi(2) atoms. The Pd(2)-Pd(2) bond length is 2.89 Å. All Pd(2)-Bi(1) bond lengths are 2.85 Å. All Pd(2)-Bi(2) bond lengths are 2.95 Å. In the third Pd site, Pd(3) is bonded in a 6-coordinate geometry to six equivalent Pd(1) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to six equivalent Pd(2) atoms. In the second Bi site, Bi(2) is bonded in a 6-coordinate geometry to three equivalent Pd(1) and three equivalent Pd(2) atoms.