Materials Data on AgPPd5 by Materials Project
Pd5AgP crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded to eight equivalent Pd and four equivalent Ag atoms to form distorted PdAg4Pd8 cuboctahedra that share corners with four equivalent PdAg4Pd8 cuboctahedra, faces with four equivalent PdAg4Pd8 cuboctahedra, and faces with four equivalent AgPd12 cuboctahedra. All Pd–Pd bond lengths are 2.89 Å. All Pd–Ag bond lengths are 2.81 Å. In the second Pd site, Pd is bonded in a 4-coordinate geometry to seven Pd, two equivalent Ag, and two equivalent P atoms. There are one shorter (2.80 Å) and four longer (2.81 Å) Pd–Pd bond lengths. Both Pd–Ag bond lengths are 2.89 Å. Both Pd–P bond lengths are 2.43 Å. Ag is bonded to twelve Pd atoms to form AgPd12 cuboctahedra that share corners with four equivalent AgPd12 cuboctahedra, faces with four equivalent PdAg4Pd8 cuboctahedra, and faces with four equivalent AgPd12 cuboctahedra. P is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.