Pd3Hf is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to six equivalent Pd(1) and six equivalent Pd(2) atoms to form a mixture of face and corner-sharing HfPd12 cuboctahedra. In the second Hf site, Hf(2) is bonded to six equivalent Pd(1) and six equivalent Pd(2) atoms to form a mixture of face and corner-sharing HfPd12 cuboctahedra. There are two inequivalent Pd sites. In the first Pd site, Pd(2) is bonded in a distorted square co-planar geometry to two equivalent Hf(1) and two equivalent Hf(2) atoms. In the second Pd site, Pd(1) is bonded in a distorted see-saw-like geometry to two equivalent Hf(1) and two equivalent Hf(2) atoms.
Pd3Hf is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to six equivalent Pd(1) and six equivalent Pd(2) atoms to form a mixture of face and corner-sharing HfPd12 cuboctahedra. All Hf(1)-Pd(1) bond lengths are 2.81 Å. All Hf(1)-Pd(2) bond lengths are 2.82 Å. In the second Hf site, Hf(2) is bonded to six equivalent Pd(1) and six equivalent Pd(2) atoms to form a mixture of face and corner-sharing HfPd12 cuboctahedra. All Hf(2)-Pd(1) bond lengths are 2.83 Å. All Hf(2)-Pd(2) bond lengths are 2.81 Å. There are two inequivalent Pd sites. In the first Pd site, Pd(2) is bonded in a distorted square co-planar geometry to two equivalent Hf(1) and two equivalent Hf(2) atoms. In the second Pd site, Pd(1) is bonded in a distorted see-saw-like geometry to two equivalent Hf(1) and two equivalent Hf(2) atoms.