Pd5HgP 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 11-coordinate geometry to two equivalent Pd(2), five equivalent Pd(1), two equivalent Hg(1), and two equivalent P(1) atoms. In the second Pd site, Pd(2) is bonded to eight equivalent Pd(1) and four equivalent Hg(1) atoms to form distorted PdHg4Pd8 cuboctahedra that share corners with four equivalent Pd(2)Hg4Pd8 cuboctahedra, faces with four equivalent Pd(2)Hg4Pd8 cuboctahedra, and faces with four equivalent Hg(1)Pd12 cuboctahedra. Hg(1) is bonded to four equivalent Pd(2) and eight equivalent Pd(1) atoms to form HgPd12 cuboctahedra that share corners with four equivalent Hg(1)Pd12 cuboctahedra, faces with four equivalent Pd(2)Hg4Pd8 cuboctahedra, and faces with four equivalent Hg(1)Pd12 cuboctahedra. P(1) is bonded in a body-centered cubic geometry to eight equivalent Pd(1) atoms.
Pd5HgP 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 11-coordinate geometry to two equivalent Pd(2), five equivalent Pd(1), two equivalent Hg(1), and two equivalent P(1) atoms. Both Pd(1)-Pd(2) bond lengths are 2.91 Å. There is one shorter (2.78 Å) and four longer (2.79 Å) Pd(1)-Pd(1) bond lengths. Both Pd(1)-Hg(1) bond lengths are 2.91 Å. Both Pd(1)-P(1) bond lengths are 2.42 Å. In the second Pd site, Pd(2) is bonded to eight equivalent Pd(1) and four equivalent Hg(1) atoms to form distorted PdHg4Pd8 cuboctahedra that share corners with four equivalent Pd(2)Hg4Pd8 cuboctahedra, faces with four equivalent Pd(2)Hg4Pd8 cuboctahedra, and faces with four equivalent Hg(1)Pd12 cuboctahedra. All Pd(2)-Hg(1) bond lengths are 2.79 Å. Hg(1) is bonded to four equivalent Pd(2) and eight equivalent Pd(1) atoms to form HgPd12 cuboctahedra that share corners with four equivalent Hg(1)Pd12 cuboctahedra, faces with four equivalent Pd(2)Hg4Pd8 cuboctahedra, and faces with four equivalent Hg(1)Pd12 cuboctahedra. P(1) is bonded in a body-centered cubic geometry to eight equivalent Pd(1) atoms.