Materials Data on PdPb by Materials Project

Abstract

PdPb crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are eight inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to three Pd and seven Pb atoms. There are a spread of Pd–Pd bond distances ranging from 2.89–3.10 Å. There are a spread of Pd–Pb bond distances ranging from 2.90–3.16 Å. In the second Pd site, Pd is bonded in a 10-coordinate geometry to three Pd and seven Pb atoms. There are a spread of Pd–Pd bond distances ranging from 2.87–3.09 Å. There are a spread of Pd–Pb bond distances ranging from 2.91–3.16 Å. In the third Pd site, Pd is bonded in a 10-coordinate geometry to three Pd and seven Pb atoms. There are a spread of Pd–Pd bond distances ranging from 2.87–3.11 Å. There are a spread of Pd–Pb bond distances ranging from 2.85–3.34 Å. In the fourth Pd site, Pd is bonded in a 10-coordinate geometry to three Pd and seven Pb atoms. There are one shorter (2.86 Å) and one longer (2.89 Å) Pd–Pd bond lengths. There are a spread of Pd–Pb bond distances ranging from 2.88–3.33 Å. In the fifth Pd site, Pd is bonded in a 10-coordinate geometry to three Pd and seven Pb atoms. The Pd–Pd bond length is 2.88 Å. There are a spread of Pd–Pb bond distances ranging from 2.87–3.34 Å. In the sixth Pd site, Pd is bonded in a 10-coordinate geometry to three Pd and seven Pb atoms. The Pd–Pd bond length is 3.09 Å. There are a spread of Pd–Pb bond distances ranging from 2.91–3.14 Å. In the seventh Pd site, Pd is bonded in a 10-coordinate geometry to three Pd and seven Pb atoms. There are a spread of Pd–Pb bond distances ranging from 2.85–3.37 Å. In the eighth Pd site, Pd is bonded in a 10-coordinate geometry to three Pd and seven Pb atoms. The Pd–Pd bond length is 2.94 Å. There are a spread of Pd–Pb bond distances ranging from 2.91–3.14 Å. There are eight inequivalent Pb sites. In the first Pb site, Pb is bonded in a 5-coordinate geometry to seven Pd atoms. In the second Pb site, Pb is bonded in a 7-coordinate geometry to seven Pd atoms. In the third Pb site, Pb is bonded in a 7-coordinate geometry to seven Pd atoms. In the fourth Pb site, Pb is bonded in a 5-coordinate geometry to seven Pd atoms. In the fifth Pb site, Pb is bonded in a 7-coordinate geometry to seven Pd atoms. In the sixth Pb site, Pb is bonded in a 7-coordinate geometry to seven Pd atoms. In the seventh Pb site, Pb is bonded in a 5-coordinate geometry to seven Pd atoms. In the eighth Pb site, Pb is bonded in a 5-coordinate geometry to seven Pd atoms.