Materials Data on BiPd by Materials Project

Abstract

PdBi crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to three Pd and seven Bi atoms. There are two shorter (2.90 Å) and one longer (3.08 Å) Pd–Pd bond lengths. There are a spread of Pd–Bi bond distances ranging from 2.91–3.14 Å. In the second Pd site, Pd is bonded in a 10-coordinate geometry to three Pd and seven Bi atoms. Both Pd–Pd bond lengths are 2.89 Å. There are a spread of Pd–Bi bond distances ranging from 2.90–3.31 Å. In the third Pd site, Pd is bonded in a 9-coordinate geometry to two Pd and seven Bi atoms. There are a spread of Pd–Bi bond distances ranging from 2.94–3.05 Å. There are three inequivalent Bi sites. In the first Bi site, Bi is bonded in a 7-coordinate geometry to seven Pd atoms. In the second Bi site, Bi is bonded in a 7-coordinate geometry to seven Pd atoms. In the third Bi site, Bi is bonded in a 7-coordinate geometry to seven Pd atoms.