Materials Data on BiPd by Materials Project

Dataset · Wed Jul 15 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1199324· OSTI ID:1199324

PdBi crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are four 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 a spread of Pd–Pd bond distances ranging from 2.89–3.08 Å. There are a spread of Pd–Bi bond distances ranging from 2.89–3.34 Å. In the second Pd site, Pd is bonded in a 10-coordinate geometry to three Pd and seven Bi atoms. There are one shorter (2.89 Å) and one longer (2.92 Å) Pd–Pd bond lengths. There are a spread of Pd–Bi bond distances ranging from 2.92–3.12 Å. In the third Pd site, Pd is bonded in a 10-coordinate geometry to three Pd and seven Bi atoms. The Pd–Pd bond length is 3.13 Å. There are a spread of Pd–Bi bond distances ranging from 2.90–3.29 Å. In the fourth Pd site, Pd is bonded in a 10-coordinate geometry to three Pd and seven Bi atoms. There are a spread of Pd–Bi bond distances ranging from 2.92–3.12 Å. There are four inequivalent Bi sites. In the first Bi site, Bi is bonded in a 5-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. In the fourth Bi site, Bi is bonded in a 7-coordinate geometry to seven Pd atoms.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1199324
• Report Number(s): mp-23206
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Bi-Pd
BiPd
crystal structure