Materials Data on Bi2Pd5 by Materials Project
Pd5Bi2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are six inequivalent Pd sites. In the first Pd site, Pd is bonded to eight Pd and four Bi atoms to form a mixture of distorted corner, edge, and face-sharing PdBi4Pd8 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.90–2.98 Å. There are a spread of Pd–Bi bond distances ranging from 2.85–2.96 Å. In the second Pd site, Pd is bonded to eight Pd and four Bi atoms to form a mixture of distorted corner, edge, and face-sharing PdBi4Pd8 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.90–2.94 Å. There are a spread of Pd–Bi bond distances ranging from 2.85–2.96 Å. In the third Pd site, Pd is bonded to eight Pd and four Bi atoms to form a mixture of corner, edge, and face-sharing PdBi4Pd8 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.91–2.97 Å. There are two shorter (2.89 Å) and two longer (2.90 Å) Pd–Bi bond lengths. In the fourth Pd site, Pd is bonded to eight Pd and four Bi atoms to form a mixture of corner, edge, and face-sharing PdBi4Pd8 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.91–2.93 Å. There are two shorter (2.89 Å) and two longer (2.90 Å) Pd–Bi bond lengths. In the fifth Pd site, Pd is bonded in a 4-coordinate geometry to six Pd and four Bi atoms. There are a spread of Pd–Bi bond distances ranging from 2.86–2.96 Å. In the sixth Pd site, Pd is bonded in a 11-coordinate geometry to six Pd and five Bi atoms. There are a spread of Pd–Bi bond distances ranging from 2.94–3.05 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 10-coordinate geometry to ten Pd atoms. In the second Bi site, Bi is bonded in a distorted q6 geometry to eleven Pd atoms.