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PuPd3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pu is bonded to twelve equivalent Pd atoms to form a mixture of face and corner-sharing PuPd12 cuboctahedra. All Pu–Pd bond lengths are 2.94 Å. Pd is bonded in a distorted square co-planar geometry to four equivalent Pu atoms.
PuPd3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pu is bonded to twelve Pd atoms to form a mixture of corner, edge, and face-sharing PuPd12 cuboctahedra. All Pu–Pd bond lengths are 2.93 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to four equivalent Pu atoms to form a mixture of distorted corner and edge-sharing PdPu4 cuboctahedra. In the second Pd site, Pd is bonded in a distorted square co-planar geometry to four equivalent Pu atoms.