Cu2Pd3Se4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 6-coordinate geometry to two equivalent Cu(1), two equivalent Se(1), and two equivalent Se(2) atoms. In the second Pd site, Pd(2) is bonded in a 6-coordinate geometry to two equivalent Cu(1), two equivalent Se(1), and two equivalent Se(2) atoms. Cu(1) is bonded in a 2-coordinate geometry to one Pd(2), two equivalent Pd(1), one Se(1), and three equivalent Se(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one Pd(2), two equivalent Pd(1), and one Cu(1) atom to form distorted corner-sharing SeCuPd3 tetrahedra. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to one Pd(2), two equivalent Pd(1), and three equivalent Cu(1) atoms.
Cu2Pd3Se4 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 6-coordinate geometry to two equivalent Cu(1), two equivalent Se(1), and two equivalent Se(2) atoms. There is one shorter (2.75 Å) and one longer (2.91 Å) Pd(1)-Cu(1) bond length. There is one shorter (2.48 Å) and one longer (2.51 Å) Pd(1)-Se(1) bond length. There is one shorter (2.50 Å) and one longer (2.53 Å) Pd(1)-Se(2) bond length. In the second Pd site, Pd(2) is bonded in a 6-coordinate geometry to two equivalent Cu(1), two equivalent Se(1), and two equivalent Se(2) atoms. Both Pd(2)-Cu(1) bond lengths are 2.88 Å. Both Pd(2)-Se(1) bond lengths are 2.53 Å. Both Pd(2)-Se(2) bond lengths are 2.52 Å. Cu(1) is bonded in a 2-coordinate geometry to one Pd(2), two equivalent Pd(1), one Se(1), and three equivalent Se(2) atoms. The Cu(1)-Se(1) bond length is 2.45 Å. There are a spread of Cu(1)-Se(2) bond distances ranging from 2.53-2.88 Å. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one Pd(2), two equivalent Pd(1), and one Cu(1) atom to form distorted corner-sharing SeCuPd3 tetrahedra. In the second Se site, Se(2) is bonded in a 6-coordinate geometry to one Pd(2), two equivalent Pd(1), and three equivalent Cu(1) atoms.