Materials Data on SiPd4 by Materials Project
Pd4Si crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 12-coordinate geometry to three equivalent Pd and three equivalent Si atoms. All Pd–Pd bond lengths are 2.86 Å. All Pd–Si bond lengths are 2.46 Å. In the second Pd site, Pd is bonded to twelve Pd atoms to form a mixture of corner, edge, and face-sharing PdPd12 cuboctahedra. There are three shorter (2.79 Å) and six longer (2.87 Å) Pd–Pd bond lengths. Si is bonded in a 6-coordinate geometry to six equivalent Pd atoms.
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