Pd8Bi3 crystallizes in the trigonal R3 space group. There are sixteen inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 12-coordinate geometry to one Pd(11), one Pd(14), one Pd(16), one Pd(5), one Pd(8), three equivalent Pd(3), one Bi(3), and three equivalent Bi(1) atoms. In the second Pd site, Pd(2) is bonded in a 12-coordinate geometry to one Pd(10), one Pd(12), one Pd(15), one Pd(6), one Pd(7), three equivalent Pd(4), one Bi(6), and three equivalent Bi(2) atoms. In the third Pd site, Pd(3) is bonded in a 13-coordinate geometry to one Pd(11), one Pd(14), one Pd(7), three equivalent Pd(1), three equivalent Pd(5), one Bi(1), one Bi(3), one Bi(5), and one Bi(7) atom. In the fourth Pd site, Pd(4) is bonded in a 4-coordinate geometry to one Pd(10), one Pd(8), three equivalent Pd(2), one Bi(2), one Bi(4), one Bi(6), and one Bi(8) atom. In the fifth Pd site, Pd(5) is bonded in a 12-coordinate geometry to one Pd(1), one Pd(9), three equivalent Pd(3), three equivalent Pd(7), one Bi(2), one Bi(3), one Bi(5), and one Bi(7) atom. In the sixth Pd site, Pd(6) is bonded in a 4-coordinate geometry to one Pd(13), one Pd(2), three equivalent Pd(8), one Bi(1), one Bi(4), one Bi(6), and one Bi(8) atom. In the seventh Pd site, Pd(7) is bonded in a 12-coordinate geometry to one Pd(12), one Pd(2), one Pd(3), one Pd(9), three equivalent Pd(5), one Bi(5), one Bi(7), and three equivalent Bi(2) atoms. In the eighth Pd site, Pd(8) is bonded in a 13-coordinate geometry to one Pd(1), one Pd(11), one Pd(13), one Pd(16), one Pd(4), three equivalent Pd(6), one Bi(4), one Bi(8), and three equivalent Bi(1) atoms. In the ninth Pd site, Pd(9) is bonded in a 11-coordinate geometry to one Pd(10), three equivalent Pd(5), three equivalent Pd(7), one Bi(3), and three equivalent Bi(2) atoms. In the tenth Pd site, Pd(10) is bonded in a 11-coordinate geometry to one Pd(9), three equivalent Pd(2), three equivalent Pd(4), one Bi(4), and three equivalent Bi(2) atoms. In the eleventh Pd site, Pd(11) is bonded in a 7-coordinate geometry to three equivalent Pd(1), three equivalent Pd(3), three equivalent Pd(8), one Bi(5), and three equivalent Bi(1) atoms. In the twelfth Pd site, Pd(12) is bonded in a 4-coordinate geometry to three equivalent Pd(2), three equivalent Pd(7), one Bi(5), and three equivalent Bi(2) atoms. In the thirteenth Pd site, Pd(13) is bonded in a 11-coordinate geometry to one Pd(14), three equivalent Pd(6), three equivalent Pd(8), one Bi(6), and three equivalent Bi(1) atoms. In the fourteenth Pd site, Pd(14) is bonded in a 11-coordinate geometry to one Pd(13), three equivalent Pd(1), three equivalent Pd(3), one Bi(7), and three equivalent Bi(1) atoms. In the fifteenth Pd site, Pd(15) is bonded in a 7-coordinate geometry to three equivalent Pd(2), one Bi(8), and three equivalent Bi(2) atoms. In the sixteenth Pd site, Pd(16) is bonded in a 4-coordinate geometry to three equivalent Pd(1), three equivalent Pd(8), one Bi(8), and three equivalent Bi(1) atoms. There are eight inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one Pd(11), one Pd(13), one Pd(14), one Pd(16), one Pd(3), one Pd(6), three equivalent Pd(1), and three equivalent Pd(8) atoms to form distorted face-sharing BiPd12 cuboctahedra. In the second Bi site, Bi(2) is bonded to one Pd(10), one Pd(12), one Pd(15), one Pd(4), one Pd(5), one Pd(9), three equivalent Pd(2), and three equivalent Pd(7) atoms to form distorted face-sharing BiPd12 cuboctahedra. In the third Bi site, Bi(3) is bonded in a 10-coordinate geometry to one Pd(9), three equivalent Pd(1), three equivalent Pd(3), and three equivalent Pd(5) atoms. In the fourth Bi site, Bi(4) is bonded in a distorted q6 geometry to one Pd(10), three equivalent Pd(4), three equivalent Pd(6), and three equivalent Pd(8) atoms. In the fifth Bi site, Bi(5) is bonded in a distorted body-centered cubic geometry to one Pd(11), one Pd(12), three equivalent Pd(3), three equivalent Pd(5), and three equivalent Pd(7) atoms. In the sixth Bi site, Bi(6) is bonded in a 10-coordinate geometry to one Pd(13), three equivalent Pd(2), three equivalent Pd(4), and three equivalent Pd(6) atoms. In the seventh Bi site, Bi(7) is bonded in a 10-coordinate geometry to one Pd(14), three equivalent Pd(3), three equivalent Pd(5), and three equivalent Pd(7) atoms. In the eighth Bi site, Bi(8) is bonded in a distorted body-centered cubic geometry to one Pd(15), one Pd(16), three equivalent Pd(4), three equivalent Pd(6), and three equivalent Pd(8) atoms.
Pd8Bi3 crystallizes in the trigonal R3 space group. There are sixteen inequivalent Pd sites. In the first Pd site, Pd(1) is bonded in a 12-coordinate geometry to one Pd(11), one Pd(14), one Pd(16), one Pd(5), one Pd(8), three equivalent Pd(3), one Bi(3), and three equivalent Bi(1) atoms. The Pd(1)-Pd(11) bond length is 2.86 Å. The Pd(1)-Pd(14) bond length is 2.84 Å. The Pd(1)-Pd(16) bond length is 3.12 Å. The Pd(1)-Pd(5) bond length is 2.92 Å. The Pd(1)-Pd(8) bond length is 2.96 Å. There are two shorter (3.02 Å) and one longer (3.08 Å) Pd(1)-Pd(3) bond length. The Pd(1)-Bi(3) bond length is 2.82 Å. There are a spread of Pd(1)-Bi(1) bond distances ranging from 2.91-3.21 Å. In the second Pd site, Pd(2) is bonded in a 12-coordinate geometry to one Pd(10), one Pd(12), one Pd(15), one Pd(6), one Pd(7), three equivalent Pd(4), one Bi(6), and three equivalent Bi(2) atoms. The Pd(2)-Pd(10) bond length is 2.85 Å. The Pd(2)-Pd(12) bond length is 3.08 Å. The Pd(2)-Pd(15) bond length is 2.86 Å. The Pd(2)-Pd(6) bond length is 2.94 Å. The Pd(2)-Pd(7) bond length is 2.98 Å. There are a spread of Pd(2)-Pd(4) bond distances ranging from 3.01-3.07 Å. The Pd(2)-Bi(6) bond length is 2.82 Å. There are a spread of Pd(2)-Bi(2) bond distances ranging from 2.94-3.21 Å. In the third Pd site, Pd(3) is bonded in a 13-coordinate geometry to one Pd(11), one Pd(14), one Pd(7), three equivalent Pd(1), three equivalent Pd(5), one Bi(1), one Bi(3), one Bi(5), and one Bi(7) atom. The Pd(3)-Pd(11) bond length is 3.17 Å. The Pd(3)-Pd(14) bond length is 2.87 Å. The Pd(3)-Pd(7) bond length is 2.94 Å. There are a spread of Pd(3)-Pd(5) bond distances ranging from 3.01-3.14 Å. The Pd(3)-Bi(1) bond length is 2.86 Å. The Pd(3)-Bi(3) bond length is 2.91 Å. The Pd(3)-Bi(5) bond length is 2.76 Å. The Pd(3)-Bi(7) bond length is 2.88 Å. In the fourth Pd site, Pd(4) is bonded in a 4-coordinate geometry to one Pd(10), one Pd(8), three equivalent Pd(2), one Bi(2), one Bi(4), one Bi(6), and one Bi(8) atom. The Pd(4)-Pd(10) bond length is 2.90 Å. The Pd(4)-Pd(8) bond length is 2.96 Å. The Pd(4)-Bi(2) bond length is 2.88 Å. The Pd(4)-Bi(4) bond length is 2.85 Å. The Pd(4)-Bi(6) bond length is 2.91 Å. The Pd(4)-Bi(8) bond length is 2.75 Å. In the fifth Pd site, Pd(5) is bonded in a 12-coordinate geometry to one Pd(1), one Pd(9), three equivalent Pd(3), three equivalent Pd(7), one Bi(2), one Bi(3), one Bi(5), and one Bi(7) atom. The Pd(5)-Pd(9) bond length is 2.86 Å. There are a spread of Pd(5)-Pd(7) bond distances ranging from 2.98-3.10 Å. The Pd(5)-Bi(2) bond length is 2.91 Å. The Pd(5)-Bi(3) bond length is 2.81 Å. The Pd(5)-Bi(5) bond length is 2.76 Å. The Pd(5)-Bi(7) bond length is 2.81 Å. In the sixth Pd site, Pd(6) is bonded in a 4-coordinate geometry to one Pd(13), one Pd(2), three equivalent Pd(8), one Bi(1), one Bi(4), one Bi(6), and one Bi(8) atom. The Pd(6)-Pd(13) bond length is 2.86 Å. There are a spread of Pd(6)-Pd(8) bond distances ranging from 2.97-3.14 Å. The Pd(6)-Bi(1) bond length is 2.90 Å. The Pd(6)-Bi(4) bond length is 2.85 Å. The Pd(6)-Bi(6) bond length is 2.81 Å. The Pd(6)-Bi(8) bond length is 2.75 Å. In the seventh Pd site, Pd(7) is bonded in a 12-coordinate geometry to one Pd(12), one Pd(2), one Pd(3), one Pd(9), three equivalent Pd(5), one Bi(5), one Bi(7), and three equivalent Bi(2) atoms. The Pd(7)-Pd(12) bond length is 2.87 Å. The Pd(7)-Pd(9) bond length is 2.86 Å. The Pd(7)-Bi(5) bond length is 3.31 Å. The Pd(7)-Bi(7) bond length is 2.88 Å. There are a spread of Pd(7)-Bi(2) bond distances ranging from 2.92-3.24 Å. In the eighth Pd site, Pd(8) is bonded in a 13-coordinate geometry to one Pd(1), one Pd(11), one Pd(13), one Pd(16), one Pd(4), three equivalent Pd(6), one Bi(4), one Bi(8), and three equivalent Bi(1) atoms. The Pd(8)-Pd(11) bond length is 3.41 Å. The Pd(8)-Pd(13) bond length is 2.89 Å. The Pd(8)-Pd(16) bond length is 2.89 Å. The Pd(8)-Bi(4) bond length is 2.86 Å. The Pd(8)-Bi(8) bond length is 3.40 Å. There are a spread of Pd(8)-Bi(1) bond distances ranging from 2.89-3.30 Å. In the ninth Pd site, Pd(9) is bonded in a 11-coordinate geometry to one Pd(10), three equivalent Pd(5), three equivalent Pd(7), one Bi(3), and three equivalent Bi(2) atoms. The Pd(9)-Pd(10) bond length is 2.91 Å. The Pd(9)-Bi(3) bond length is 2.81 Å. All Pd(9)-Bi(2) bond lengths are 2.91 Å. In the tenth Pd site, Pd(10) is bonded in a 11-coordinate geometry to one Pd(9), three equivalent Pd(2), three equivalent Pd(4), one Bi(4), and three equivalent Bi(2) atoms. The Pd(10)-Bi(4) bond length is 2.75 Å. All Pd(10)-Bi(2) bond lengths are 2.91 Å. In the eleventh Pd site, Pd(11) is bonded in a 7-coordinate geometry to three equivalent Pd(1), three equivalent Pd(3), three equivalent Pd(8), one Bi(5), and three equivalent Bi(1) atoms. The Pd(11)-Bi(5) bond length is 2.89 Å. All Pd(11)-Bi(1) bond lengths are 2.87 Å. In the twelfth Pd site, Pd(12) is bonded in a 4-coordinate geometry to three equivalent Pd(2), three equivalent Pd(7), one Bi(5), and three equivalent Bi(2) atoms. The Pd(12)-Bi(5) bond length is 2.86 Å. All Pd(12)-Bi(2) bond lengths are 2.84 Å. In the thirteenth Pd site, Pd(13) is bonded in a 11-coordinate geometry to one Pd(14), three equivalent Pd(6), three equivalent Pd(8), one Bi(6), and three equivalent Bi(1) atoms. The Pd(13)-Pd(14) bond length is 2.93 Å. The Pd(13)-Bi(6) bond length is 2.83 Å. All Pd(13)-Bi(1) bond lengths are 2.90 Å. In the fourteenth Pd site, Pd(14) is bonded in a 11-coordinate geometry to one Pd(13), three equivalent Pd(1), three equivalent Pd(3), one Bi(7), and three equivalent Bi(1) atoms. The Pd(14)-Bi(7) bond length is 2.75 Å. All Pd(14)-Bi(1) bond lengths are 2.93 Å. In the fifteenth Pd site, Pd(15) is bonded in a 7-coordinate geometry to three equivalent Pd(2), one Bi(8), and three equivalent Bi(2) atoms. The Pd(15)-Bi(8) bond length is 2.86 Å. All Pd(15)-Bi(2) bond lengths are 2.85 Å. In the sixteenth Pd site, Pd(16) is bonded in a 4-coordinate geometry to three equivalent Pd(1), three equivalent Pd(8), one Bi(8), and three equivalent Bi(1) atoms. The Pd(16)-Bi(8) bond length is 2.82 Å. All Pd(16)-Bi(1) bond lengths are 2.85 Å. There are eight inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one Pd(11), one Pd(13), one Pd(14), one Pd(16), one Pd(3), one Pd(6), three equivalent Pd(1), and three equivalent Pd(8) atoms to form distorted face-sharing BiPd12 cuboctahedra. In the second Bi site, Bi(2) is bonded to one Pd(10), one Pd(12), one Pd(15), one Pd(4), one Pd(5), one Pd(9), three equivalent Pd(2), and three equivalent Pd(7) atoms to form distorted face-sharing BiPd12 cuboctahedra. In the third Bi site, Bi(3) is bonded in a 10-coordinate geometry to one Pd(9), three equivalent Pd(1), three equivalent Pd(3), and three equivalent Pd(5) atoms. In the fourth Bi site, Bi(4) is bonded in a distorted q6 geometry to one Pd(10), three equivalent Pd(4), three equivalent Pd(6), and three equivalent Pd(8) atoms. In the fifth Bi site, Bi(5) is bonded in a distorted body-centered cubic geometry to one Pd(11), one Pd(12), three equivalent Pd(3), three equivalent Pd(5), and three equivalent Pd(7) atoms. In the sixth Bi site, Bi(6) is bonded in a 10-coordinate geometry to one Pd(13), three equivalent Pd(2), three equivalent Pd(4), and three equivalent Pd(6) atoms. In the seventh Bi site, Bi(7) is bonded in a 10-coordinate geometry to one Pd(14), three equivalent Pd(3), three equivalent Pd(5), and three equivalent Pd(7) atoms. In the eighth Bi site, Bi(8) is bonded in a distorted body-centered cubic geometry to one Pd(15), one Pd(16), three equivalent Pd(4), three equivalent Pd(6), and three equivalent Pd(8) atoms.