Pd5PbAs4 crystallizes in the monoclinic Cc space group. There are five inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 5-coordinate geometry to one Pd(4), one Pd(5), one Pb(1), one As(1), one As(2), one As(4), and two equivalent As(3) atoms. In the second Pd site, Pd(2) is bonded to one Pd(3), two equivalent Pb(1), one As(1), one As(2), one As(3), and one As(4) atom to form distorted corner-sharing PdAs4PdPb2 octahedra. The corner-sharing octahedral tilt angles are 56°. In the third Pd site, Pd(3) is bonded in a 8-coordinate geometry to one Pd(2), one Pd(5), one Pb(1), one As(1), one As(2), one As(3), and two equivalent As(4) atoms. In the fourth Pd site, Pd(4) is bonded in a 8-coordinate geometry to one Pd(1), one Pd(5), one Pb(1), one As(1), one As(3), one As(4), and two equivalent As(2) atoms. In the fifth Pd site, Pd(5) is bonded in a 9-coordinate geometry to one Pd(1), one Pd(3), one Pd(4), one Pb(1), one As(2), one As(3), one As(4), and two equivalent As(1) atoms. Pb(1) is bonded in a 6-coordinate geometry to one Pd(1), one Pd(3), one Pd(4), one Pd(5), and two equivalent Pd(2) atoms. There are four inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to one Pd(1), one Pd(2), one Pd(3), one Pd(4), and two equivalent Pd(5) atoms. In the second As site, As(2) is bonded in a 6-coordinate geometry to one Pd(1), one Pd(2), one Pd(3), one Pd(5), and two equivalent Pd(4) atoms. In the third As site, As(3) is bonded in a 6-coordinate geometry to one Pd(2), one Pd(3), one Pd(4), one Pd(5), and two equivalent Pd(1) atoms. In the fourth As site, As(4) is bonded in a 6-coordinate geometry to one Pd(1), one Pd(2), one Pd(4), one Pd(5), and two equivalent Pd(3) atoms.
Pd5PbAs4 crystallizes in the monoclinic Cc space group. There are five inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 5-coordinate geometry to one Pd(4), one Pd(5), one Pb(1), one As(1), one As(2), one As(4), and two equivalent As(3) atoms. The Pd(1)-Pd(4) bond length is 2.82 Å. The Pd(1)-Pd(5) bond length is 3.21 Å. The Pd(1)-Pb(1) bond length is 2.90 Å. The Pd(1)-As(1) bond length is 2.55 Å. The Pd(1)-As(2) bond length is 2.57 Å. The Pd(1)-As(4) bond length is 2.94 Å. There is one shorter (2.62 Å) and one longer (2.70 Å) Pd(1)-As(3) bond length. In the second Pd site, Pd(2) is bonded to one Pd(3), two equivalent Pb(1), one As(1), one As(2), one As(3), and one As(4) atom to form distorted corner-sharing PdAs4PdPb2 octahedra. The corner-sharing octahedral tilt angles are 56°. The Pd(2)-Pd(3) bond length is 2.93 Å. There is one shorter (2.73 Å) and one longer (2.78 Å) Pd(2)-Pb(1) bond length. The Pd(2)-As(1) bond length is 2.54 Å. The Pd(2)-As(2) bond length is 2.54 Å. The Pd(2)-As(3) bond length is 2.66 Å. The Pd(2)-As(4) bond length is 2.68 Å. In the third Pd site, Pd(3) is bonded in a 8-coordinate geometry to one Pd(2), one Pd(5), one Pb(1), one As(1), one As(2), one As(3), and two equivalent As(4) atoms. The Pd(3)-Pd(5) bond length is 2.86 Å. The Pd(3)-Pb(1) bond length is 2.89 Å. The Pd(3)-As(1) bond length is 2.57 Å. The Pd(3)-As(2) bond length is 2.62 Å. The Pd(3)-As(3) bond length is 2.82 Å. There is one shorter (2.63 Å) and one longer (2.65 Å) Pd(3)-As(4) bond length. In the fourth Pd site, Pd(4) is bonded in a 8-coordinate geometry to one Pd(1), one Pd(5), one Pb(1), one As(1), one As(3), one As(4), and two equivalent As(2) atoms. The Pd(4)-Pd(5) bond length is 2.89 Å. The Pd(4)-Pb(1) bond length is 2.91 Å. The Pd(4)-As(1) bond length is 2.63 Å. The Pd(4)-As(3) bond length is 2.58 Å. The Pd(4)-As(4) bond length is 2.51 Å. There is one shorter (2.57 Å) and one longer (2.92 Å) Pd(4)-As(2) bond length. In the fifth Pd site, Pd(5) is bonded in a 9-coordinate geometry to one Pd(1), one Pd(3), one Pd(4), one Pb(1), one As(2), one As(3), one As(4), and two equivalent As(1) atoms. The Pd(5)-Pb(1) bond length is 2.93 Å. The Pd(5)-As(2) bond length is 2.62 Å. The Pd(5)-As(3) bond length is 2.51 Å. The Pd(5)-As(4) bond length is 2.59 Å. There is one shorter (2.53 Å) and one longer (2.98 Å) Pd(5)-As(1) bond length. Pb(1) is bonded in a 6-coordinate geometry to one Pd(1), one Pd(3), one Pd(4), one Pd(5), and two equivalent Pd(2) atoms. There are four inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to one Pd(1), one Pd(2), one Pd(3), one Pd(4), and two equivalent Pd(5) atoms. In the second As site, As(2) is bonded in a 6-coordinate geometry to one Pd(1), one Pd(2), one Pd(3), one Pd(5), and two equivalent Pd(4) atoms. In the third As site, As(3) is bonded in a 6-coordinate geometry to one Pd(2), one Pd(3), one Pd(4), one Pd(5), and two equivalent Pd(1) atoms. In the fourth As site, As(4) is bonded in a 6-coordinate geometry to one Pd(1), one Pd(2), one Pd(4), one Pd(5), and two equivalent Pd(3) atoms.