Materials Data on SbPd6S by Materials Project

Pd6SbS crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 8-coordinate geometry to four equivalent Pd, one Sb, and three equivalent S atoms. There are one shorter (2.70 Å) and three longer (2.83 Å) Pd–Pd bond lengths. The Pd–Sb bond length is 2.82 Å. All Pd–S bond lengths are 2.74 Å. In the second Pd site, Pd is bonded in a 1-coordinate geometry to four equivalent Pd, three equivalent Sb, and one S atom. There are three shorter (2.70 Å) and one longer (2.77 Å) Pd–Pd bond lengths. All Pd–Sb bond lengths are 2.82 Å. The Pd–S bond length is 2.58 Å. In the third Pd site, Pd is bonded in a 11-coordinate geometry to eight Pd and three equivalent Sb atoms. All Pd–Sb bond lengths are 3.14 Å. Sb is bonded in a distorted body-centered cubic geometry to fourteen Pd atoms. S is bonded in a body-centered cubic geometry to eight Pd atoms.