Pd4Ni2As3 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 12-coordinate geometry to two equivalent Pd(3), four equivalent Pd(2), two equivalent Ni(1), two equivalent As(1), and two equivalent As(2) atoms. In the second Pd site, Pd(2) is bonded in a 11-coordinate geometry to two equivalent Pd(1), four equivalent Ni(1), one As(1), and four equivalent As(2) atoms. In the third Pd site, Pd(3) is bonded in a 9-coordinate geometry to two equivalent Pd(1), four equivalent Ni(1), one As(1), and four equivalent As(2) atoms. Ni(1) is bonded in a 4-coordinate geometry to one Pd(1), two equivalent Pd(3), four equivalent Pd(2), two equivalent As(1), and two equivalent As(2) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to one Pd(3), two equivalent Pd(1), two equivalent Pd(2), and four equivalent Ni(1) atoms. In the second As site, As(2) is bonded in a 9-coordinate geometry to one Pd(1), two equivalent Pd(3), four equivalent Pd(2), and two equivalent Ni(1) atoms.
Pd4Ni2As3 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 12-coordinate geometry to two equivalent Pd(3), four equivalent Pd(2), two equivalent Ni(1), two equivalent As(1), and two equivalent As(2) atoms. Both Pd(1)-Pd(3) bond lengths are 2.97 Å. All Pd(1)-Pd(2) bond lengths are 2.90 Å. Both Pd(1)-Ni(1) bond lengths are 2.93 Å. Both Pd(1)-As(1) bond lengths are 2.61 Å. Both Pd(1)-As(2) bond lengths are 2.52 Å. In the second Pd site, Pd(2) is bonded in a 11-coordinate geometry to two equivalent Pd(1), four equivalent Ni(1), one As(1), and four equivalent As(2) atoms. There are two shorter (2.84 Å) and two longer (3.00 Å) Pd(2)-Ni(1) bond lengths. The Pd(2)-As(1) bond length is 2.63 Å. There are two shorter (2.61 Å) and two longer (2.82 Å) Pd(2)-As(2) bond lengths. In the third Pd site, Pd(3) is bonded in a 9-coordinate geometry to two equivalent Pd(1), four equivalent Ni(1), one As(1), and four equivalent As(2) atoms. All Pd(3)-Ni(1) bond lengths are 2.91 Å. The Pd(3)-As(1) bond length is 2.52 Å. All Pd(3)-As(2) bond lengths are 2.69 Å. Ni(1) is bonded in a 4-coordinate geometry to one Pd(1), two equivalent Pd(3), four equivalent Pd(2), two equivalent As(1), and two equivalent As(2) atoms. Both Ni(1)-As(1) bond lengths are 2.43 Å. There is one shorter (2.37 Å) and one longer (2.41 Å) Ni(1)-As(2) bond length. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to one Pd(3), two equivalent Pd(1), two equivalent Pd(2), and four equivalent Ni(1) atoms. In the second As site, As(2) is bonded in a 9-coordinate geometry to one Pd(1), two equivalent Pd(3), four equivalent Pd(2), and two equivalent Ni(1) atoms.