PdNiSi crystallizes in the hexagonal P-62m space group. Pd(1) is bonded in a 11-coordinate geometry to six equivalent Ni(1), one Si(2), and four equivalent Si(1) atoms. Ni(1) is bonded in a 12-coordinate geometry to six equivalent Pd(1), two equivalent Ni(1), two equivalent Si(1), and two equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to six equivalent Pd(1) and three equivalent Ni(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to three equivalent Pd(1) and six equivalent Ni(1) atoms.
PdNiSi crystallizes in the hexagonal P-62m space group. Pd(1) is bonded in a 11-coordinate geometry to six equivalent Ni(1), one Si(2), and four equivalent Si(1) atoms. There are two shorter (2.74 Å) and four longer (2.76 Å) Pd(1)-Ni(1) bond lengths. The Pd(1)-Si(2) bond length is 2.44 Å. All Pd(1)-Si(1) bond lengths are 2.55 Å. Ni(1) is bonded in a 12-coordinate geometry to six equivalent Pd(1), two equivalent Ni(1), two equivalent Si(1), and two equivalent Si(2) atoms. Both Ni(1)-Ni(1) bond lengths are 2.68 Å. Both Ni(1)-Si(1) bond lengths are 2.32 Å. Both Ni(1)-Si(2) bond lengths are 2.33 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to six equivalent Pd(1) and three equivalent Ni(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to three equivalent Pd(1) and six equivalent Ni(1) atoms.