Pd15Bi4P crystallizes in the trigonal R-3m space group. There are eight inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 7-coordinate geometry to one Pd(7), three equivalent Pd(4), three equivalent Pd(6), three equivalent Bi(1), and one P(1) atom. In the second Pd site, Pd(2) is bonded in a 8-coordinate geometry to one Pd(8), three equivalent Pd(7), one Bi(1), and three equivalent Bi(2) atoms. In the third Pd site, Pd(3) is bonded in a 8-coordinate geometry to one Pd(7), three equivalent Pd(8), and four equivalent Bi(2) atoms. In the fourth Pd site, Pd(4) is bonded in a 14-coordinate geometry to three equivalent Pd(1), three equivalent Pd(4), four equivalent Pd(6), one Bi(1), and three equivalent P(1) atoms. In the fifth Pd site, Pd(5) is bonded in a distorted body-centered cubic geometry to one Pd(6), three equivalent Pd(7), one Bi(2), and three equivalent Bi(1) atoms. In the sixth Pd site, Pd(6) is bonded in a 11-coordinate geometry to one Pd(5), three equivalent Pd(1), four equivalent Pd(4), and three equivalent Bi(1) atoms. In the seventh Pd site, Pd(7) is bonded in a 14-coordinate geometry to one Pd(1), one Pd(3), three equivalent Pd(2), three equivalent Pd(5), three equivalent Bi(1), and three equivalent Bi(2) atoms. In the eighth Pd site, Pd(8) is bonded in a 14-coordinate geometry to two equivalent Pd(2), six equivalent Pd(3), and six equivalent Bi(2) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 14-coordinate geometry to one Pd(2), one Pd(4), three equivalent Pd(1), three equivalent Pd(5), three equivalent Pd(6), and three equivalent Pd(7) atoms. In the second Bi site, Bi(2) is bonded in a distorted body-centered cubic geometry to one Pd(5), three equivalent Pd(2), three equivalent Pd(7), three equivalent Pd(8), and four equivalent Pd(3) atoms. P(1) is bonded in a body-centered cubic geometry to two equivalent Pd(1) and six equivalent Pd(4) atoms.
Pd15Bi4P crystallizes in the trigonal R-3m space group. There are eight inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 7-coordinate geometry to one Pd(7), three equivalent Pd(4), three equivalent Pd(6), three equivalent Bi(1), and one P(1) atom. The Pd(1)-Pd(7) bond length is 3.16 Å. All Pd(1)-Pd(4) bond lengths are 3.12 Å. All Pd(1)-Pd(6) bond lengths are 2.69 Å. All Pd(1)-Bi(1) bond lengths are 2.97 Å. The Pd(1)-P(1) bond length is 2.38 Å. In the second Pd site, Pd(2) is bonded in a 8-coordinate geometry to one Pd(8), three equivalent Pd(7), one Bi(1), and three equivalent Bi(2) atoms. The Pd(2)-Pd(8) bond length is 2.87 Å. All Pd(2)-Pd(7) bond lengths are 2.85 Å. The Pd(2)-Bi(1) bond length is 2.89 Å. All Pd(2)-Bi(2) bond lengths are 2.83 Å. In the third Pd site, Pd(3) is bonded in a 8-coordinate geometry to one Pd(7), three equivalent Pd(8), and four equivalent Bi(2) atoms. The Pd(3)-Pd(7) bond length is 2.94 Å. All Pd(3)-Pd(8) bond lengths are 2.83 Å. There are three shorter (2.81 Å) and one longer (2.89 Å) Pd(3)-Bi(2) bond length. In the fourth Pd site, Pd(4) is bonded in a 14-coordinate geometry to three equivalent Pd(1), three equivalent Pd(4), four equivalent Pd(6), one Bi(1), and three equivalent P(1) atoms. All Pd(4)-Pd(4) bond lengths are 3.03 Å. There is one shorter (2.66 Å) and three longer (2.91 Å) Pd(4)-Pd(6) bond lengths. The Pd(4)-Bi(1) bond length is 2.97 Å. All Pd(4)-P(1) bond lengths are 2.75 Å. In the fifth Pd site, Pd(5) is bonded in a distorted body-centered cubic geometry to one Pd(6), three equivalent Pd(7), one Bi(2), and three equivalent Bi(1) atoms. The Pd(5)-Pd(6) bond length is 2.80 Å. All Pd(5)-Pd(7) bond lengths are 2.78 Å. The Pd(5)-Bi(2) bond length is 2.82 Å. All Pd(5)-Bi(1) bond lengths are 2.85 Å. In the sixth Pd site, Pd(6) is bonded in a 11-coordinate geometry to one Pd(5), three equivalent Pd(1), four equivalent Pd(4), and three equivalent Bi(1) atoms. All Pd(6)-Bi(1) bond lengths are 3.19 Å. In the seventh Pd site, Pd(7) is bonded in a 14-coordinate geometry to one Pd(1), one Pd(3), three equivalent Pd(2), three equivalent Pd(5), three equivalent Bi(1), and three equivalent Bi(2) atoms. All Pd(7)-Bi(1) bond lengths are 3.23 Å. All Pd(7)-Bi(2) bond lengths are 3.33 Å. In the eighth Pd site, Pd(8) is bonded in a 14-coordinate geometry to two equivalent Pd(2), six equivalent Pd(3), and six equivalent Bi(2) atoms. All Pd(8)-Bi(2) bond lengths are 3.27 Å. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 14-coordinate geometry to one Pd(2), one Pd(4), three equivalent Pd(1), three equivalent Pd(5), three equivalent Pd(6), and three equivalent Pd(7) atoms. In the second Bi site, Bi(2) is bonded in a distorted body-centered cubic geometry to one Pd(5), three equivalent Pd(2), three equivalent Pd(7), three equivalent Pd(8), and four equivalent Pd(3) atoms. P(1) is bonded in a body-centered cubic geometry to two equivalent Pd(1) and six equivalent Pd(4) atoms.