Pd5As2 crystallizes in the hexagonal P6_3cm space group. There are six inequivalent Pd sites. In the first Pd site, Pd(5) is bonded in a 13-coordinate geometry to three equivalent Pd(2), three equivalent Pd(3), three equivalent Pd(4), one As(3), and three equivalent As(2) atoms. In the second Pd site, Pd(6) is bonded in a 13-coordinate geometry to one Pd(4), two equivalent Pd(1), three equivalent Pd(2), three equivalent Pd(3), one As(2), one As(3), and two equivalent As(1) atoms. In the third Pd site, Pd(1) is bonded in a 13-coordinate geometry to three equivalent Pd(3), three equivalent Pd(4), three equivalent Pd(6), one As(1), and three equivalent As(2) atoms. In the fourth Pd site, Pd(2) is bonded in a 12-coordinate geometry to one Pd(3), one Pd(5), three equivalent Pd(4), three equivalent Pd(6), one As(2), one As(3), and two equivalent As(1) atoms. In the fifth Pd site, Pd(3) is bonded in a 3-coordinate geometry to one Pd(2), one Pd(5), two equivalent Pd(1), three equivalent Pd(6), one As(3), and two equivalent As(2) atoms. In the sixth Pd site, Pd(4) is bonded in a 1-coordinate geometry to one Pd(5), one Pd(6), two equivalent Pd(1), three equivalent Pd(2), two equivalent As(1), and three equivalent As(2) atoms. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 10-coordinate geometry to one Pd(1), three equivalent Pd(2), three equivalent Pd(4), and three equivalent Pd(6) atoms. In the second As site, As(2) is bonded in a 10-coordinate geometry to one Pd(2), one Pd(5), one Pd(6), two equivalent Pd(1), two equivalent Pd(3), and three equivalent Pd(4) atoms. In the third As site, As(3) is bonded in a 10-coordinate geometry to one Pd(5), three equivalent Pd(2), three equivalent Pd(3), and three equivalent Pd(6) atoms.
Pd5As2 crystallizes in the hexagonal P6_3cm space group. There are six inequivalent Pd sites. In the first Pd site, Pd(5) is bonded in a 13-coordinate geometry to three equivalent Pd(2), three equivalent Pd(3), three equivalent Pd(4), one As(3), and three equivalent As(2) atoms. All Pd(5)-Pd(2) bond lengths are 2.80 Å. All Pd(5)-Pd(3) bond lengths are 2.90 Å. All Pd(5)-Pd(4) bond lengths are 2.86 Å. The Pd(5)-As(3) bond length is 2.81 Å. All Pd(5)-As(2) bond lengths are 2.57 Å. In the second Pd site, Pd(6) is bonded in a 13-coordinate geometry to one Pd(4), two equivalent Pd(1), three equivalent Pd(2), three equivalent Pd(3), one As(2), one As(3), and two equivalent As(1) atoms. The Pd(6)-Pd(4) bond length is 3.03 Å. Both Pd(6)-Pd(1) bond lengths are 2.92 Å. There is one shorter (2.75 Å) and two longer (3.07 Å) Pd(6)-Pd(2) bond lengths. There are two shorter (2.85 Å) and one longer (2.96 Å) Pd(6)-Pd(3) bond length. The Pd(6)-As(2) bond length is 2.70 Å. The Pd(6)-As(3) bond length is 2.97 Å. Both Pd(6)-As(1) bond lengths are 2.50 Å. In the third Pd site, Pd(1) is bonded in a 13-coordinate geometry to three equivalent Pd(3), three equivalent Pd(4), three equivalent Pd(6), one As(1), and three equivalent As(2) atoms. All Pd(1)-Pd(3) bond lengths are 2.92 Å. All Pd(1)-Pd(4) bond lengths are 3.05 Å. The Pd(1)-As(1) bond length is 2.94 Å. All Pd(1)-As(2) bond lengths are 2.60 Å. In the fourth Pd site, Pd(2) is bonded in a 12-coordinate geometry to one Pd(3), one Pd(5), three equivalent Pd(4), three equivalent Pd(6), one As(2), one As(3), and two equivalent As(1) atoms. The Pd(2)-Pd(3) bond length is 2.89 Å. There is one shorter (2.75 Å) and two longer (2.96 Å) Pd(2)-Pd(4) bond lengths. The Pd(2)-As(2) bond length is 2.69 Å. The Pd(2)-As(3) bond length is 2.42 Å. Both Pd(2)-As(1) bond lengths are 2.65 Å. In the fifth Pd site, Pd(3) is bonded in a 3-coordinate geometry to one Pd(2), one Pd(5), two equivalent Pd(1), three equivalent Pd(6), one As(3), and two equivalent As(2) atoms. The Pd(3)-As(3) bond length is 2.52 Å. Both Pd(3)-As(2) bond lengths are 2.56 Å. In the sixth Pd site, Pd(4) is bonded in a 1-coordinate geometry to one Pd(5), one Pd(6), two equivalent Pd(1), three equivalent Pd(2), two equivalent As(1), and three equivalent As(2) atoms. Both Pd(4)-As(1) bond lengths are 3.00 Å. There is one shorter (2.43 Å) and two longer (2.92 Å) Pd(4)-As(2) bond lengths. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 10-coordinate geometry to one Pd(1), three equivalent Pd(2), three equivalent Pd(4), and three equivalent Pd(6) atoms. In the second As site, As(2) is bonded in a 10-coordinate geometry to one Pd(2), one Pd(5), one Pd(6), two equivalent Pd(1), two equivalent Pd(3), and three equivalent Pd(4) atoms. In the third As site, As(3) is bonded in a 10-coordinate geometry to one Pd(5), three equivalent Pd(2), three equivalent Pd(3), and three equivalent Pd(6) atoms.