Pd4Si crystallizes in the trigonal R-3m space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 3-coordinate geometry to three equivalent Pd(2) and three equivalent Si(1) atoms. In the second Pd site, Pd(2) is bonded to three equivalent Pd(1) and nine equivalent Pd(2) atoms to form a mixture of face, corner, and edge-sharing PdPd12 cuboctahedra. Si(1) is bonded in a 6-coordinate geometry to six equivalent Pd(1) atoms.
Pd4Si crystallizes in the trigonal R-3m space group. There are two inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 3-coordinate geometry to three equivalent Pd(2) and three equivalent Si(1) atoms. All Pd(1)-Pd(2) bond lengths are 2.86 Å. All Pd(1)-Si(1) bond lengths are 2.46 Å. In the second Pd site, Pd(2) is bonded to three equivalent Pd(1) and nine equivalent Pd(2) atoms to form a mixture of face, corner, and edge-sharing PdPd12 cuboctahedra. There are three shorter (2.79 Å) and six longer (2.87 Å) Pd(2)-Pd(2) bond lengths. Si(1) is bonded in a 6-coordinate geometry to six equivalent Pd(1) atoms.