PdSe crystallizes in the tetragonal P4_2/mbc space group. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a square co-planar geometry to two equivalent Se(1) and two equivalent Se(2) atoms. In the second Pd site, Pd(2) is bonded in a distorted rectangular see-saw-like geometry to four equivalent Se(1) atoms. In the third Pd site, Pd(3) is bonded in a rectangular see-saw-like geometry to two equivalent Se(1) and two equivalent Se(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one Pd(1), one Pd(3), and two equivalent Pd(2) atoms to form a mixture of corner and edge-sharing SePd4 tetrahedra. In the second Se site, Se(2) is bonded to two equivalent Pd(1) and two equivalent Pd(3) atoms to form a mixture of distorted corner and edge-sharing SePd4 tetrahedra.
PdSe crystallizes in the tetragonal P4_2/mbc space group. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a square co-planar geometry to two equivalent Se(1) and two equivalent Se(2) atoms. Both Pd(1)-Se(1) bond lengths are 2.47 Å. Both Pd(1)-Se(2) bond lengths are 2.43 Å. In the second Pd site, Pd(2) is bonded in a distorted rectangular see-saw-like geometry to four equivalent Se(1) atoms. There are two shorter (2.47 Å) and two longer (2.50 Å) Pd(2)-Se(1) bond lengths. In the third Pd site, Pd(3) is bonded in a rectangular see-saw-like geometry to two equivalent Se(1) and two equivalent Se(2) atoms. Both Pd(3)-Se(1) bond lengths are 2.46 Å. Both Pd(3)-Se(2) bond lengths are 2.45 Å. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one Pd(1), one Pd(3), and two equivalent Pd(2) atoms to form a mixture of corner and edge-sharing SePd4 tetrahedra. In the second Se site, Se(2) is bonded to two equivalent Pd(1) and two equivalent Pd(3) atoms to form a mixture of distorted corner and edge-sharing SePd4 tetrahedra.