Pd6SnAs crystallizes in the trigonal R-3m space group. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 8-coordinate geometry to four equivalent Pd(3), one Sn(1), and three equivalent As(1) atoms. In the second Pd site, Pd(2) is bonded in a distorted body-centered cubic geometry to four equivalent Pd(3), three equivalent Sn(1), and one As(1) atom. In the third Pd site, Pd(3) is bonded in a 11-coordinate geometry to four equivalent Pd(1), four equivalent Pd(2), and three equivalent Sn(1) atoms. Sn(1) is bonded in a distorted body-centered cubic geometry to two equivalent Pd(1), six equivalent Pd(2), and six equivalent Pd(3) atoms. As(1) is bonded in a body-centered cubic geometry to two equivalent Pd(2) and six equivalent Pd(1) atoms.
Pd6SnAs crystallizes in the trigonal R-3m space group. There are three inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 8-coordinate geometry to four equivalent Pd(3), one Sn(1), and three equivalent As(1) atoms. There is one shorter (2.74 Å) and three longer (2.84 Å) Pd(1)-Pd(3) bond lengths. The Pd(1)-Sn(1) bond length is 2.86 Å. All Pd(1)-As(1) bond lengths are 2.72 Å. In the second Pd site, Pd(2) is bonded in a distorted body-centered cubic geometry to four equivalent Pd(3), three equivalent Sn(1), and one As(1) atom. There are three shorter (2.69 Å) and one longer (2.77 Å) Pd(2)-Pd(3) bond length. All Pd(2)-Sn(1) bond lengths are 2.81 Å. The Pd(2)-As(1) bond length is 2.60 Å. In the third Pd site, Pd(3) is bonded in a 11-coordinate geometry to four equivalent Pd(1), four equivalent Pd(2), and three equivalent Sn(1) atoms. All Pd(3)-Sn(1) bond lengths are 3.12 Å. Sn(1) is bonded in a distorted body-centered cubic geometry to two equivalent Pd(1), six equivalent Pd(2), and six equivalent Pd(3) atoms. As(1) is bonded in a body-centered cubic geometry to two equivalent Pd(2) and six equivalent Pd(1) atoms.