Pd5CdSe crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 4-coordinate geometry to two equivalent Pd(2), two equivalent Cd(1), and two equivalent Se(1) atoms. In the second Pd site, Pd(2) is bonded to eight equivalent Pd(1) and four equivalent Cd(1) atoms to form distorted PdCd4Pd8 cuboctahedra that share corners with four equivalent Pd(2)Cd4Pd8 cuboctahedra, faces with four equivalent Pd(2)Cd4Pd8 cuboctahedra, and faces with four equivalent Cd(1)Pd12 cuboctahedra. Cd(1) is bonded to four equivalent Pd(2) and eight equivalent Pd(1) atoms to form CdPd12 cuboctahedra that share corners with four equivalent Cd(1)Pd12 cuboctahedra, faces with four equivalent Pd(2)Cd4Pd8 cuboctahedra, and faces with four equivalent Cd(1)Pd12 cuboctahedra. Se(1) is bonded in a body-centered cubic geometry to eight equivalent Pd(1) atoms.
Pd5CdSe crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 4-coordinate geometry to two equivalent Pd(2), two equivalent Cd(1), and two equivalent Se(1) atoms. Both Pd(1)-Pd(2) bond lengths are 2.85 Å. Both Pd(1)-Cd(1) bond lengths are 2.85 Å. Both Pd(1)-Se(1) bond lengths are 2.53 Å. In the second Pd site, Pd(2) is bonded to eight equivalent Pd(1) and four equivalent Cd(1) atoms to form distorted PdCd4Pd8 cuboctahedra that share corners with four equivalent Pd(2)Cd4Pd8 cuboctahedra, faces with four equivalent Pd(2)Cd4Pd8 cuboctahedra, and faces with four equivalent Cd(1)Pd12 cuboctahedra. All Pd(2)-Cd(1) bond lengths are 2.85 Å. Cd(1) is bonded to four equivalent Pd(2) and eight equivalent Pd(1) atoms to form CdPd12 cuboctahedra that share corners with four equivalent Cd(1)Pd12 cuboctahedra, faces with four equivalent Pd(2)Cd4Pd8 cuboctahedra, and faces with four equivalent Cd(1)Pd12 cuboctahedra. Se(1) is bonded in a body-centered cubic geometry to eight equivalent Pd(1) atoms.