Pd5GaAs 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 Ga(1), and two equivalent As(1) atoms. In the second Pd site, Pd(2) is bonded to eight equivalent Pd(1) and four equivalent Ga(1) atoms to form PdGa4Pd8 cuboctahedra that share corners with four equivalent Pd(2)Ga4Pd8 cuboctahedra, faces with four equivalent Pd(2)Ga4Pd8 cuboctahedra, and faces with four equivalent Ga(1)Pd12 cuboctahedra. Ga(1) is bonded to four equivalent Pd(2) and eight equivalent Pd(1) atoms to form GaPd12 cuboctahedra that share corners with four equivalent Ga(1)Pd12 cuboctahedra, faces with four equivalent Pd(2)Ga4Pd8 cuboctahedra, and faces with four equivalent Ga(1)Pd12 cuboctahedra. As(1) is bonded in a body-centered cubic geometry to eight equivalent Pd(1) atoms.
Pd5GaAs 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 Ga(1), and two equivalent As(1) atoms. Both Pd(1)-Pd(2) bond lengths are 2.76 Å. Both Pd(1)-Ga(1) bond lengths are 2.76 Å. Both Pd(1)-As(1) bond lengths are 2.50 Å. In the second Pd site, Pd(2) is bonded to eight equivalent Pd(1) and four equivalent Ga(1) atoms to form PdGa4Pd8 cuboctahedra that share corners with four equivalent Pd(2)Ga4Pd8 cuboctahedra, faces with four equivalent Pd(2)Ga4Pd8 cuboctahedra, and faces with four equivalent Ga(1)Pd12 cuboctahedra. All Pd(2)-Ga(1) bond lengths are 2.80 Å. Ga(1) is bonded to four equivalent Pd(2) and eight equivalent Pd(1) atoms to form GaPd12 cuboctahedra that share corners with four equivalent Ga(1)Pd12 cuboctahedra, faces with four equivalent Pd(2)Ga4Pd8 cuboctahedra, and faces with four equivalent Ga(1)Pd12 cuboctahedra. As(1) is bonded in a body-centered cubic geometry to eight equivalent Pd(1) atoms.