Materials Data on Cu3Pd2 by Materials Project

Dataset · Thu Sep 03 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1758988· OSTI ID:1758988

Pd2Cu3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted body-centered cubic geometry to nine Cu atoms. There are eight shorter (2.62 Å) and one longer (2.89 Å) Pd–Cu bond lengths. In the second Pd site, Pd is bonded in a body-centered cubic geometry to eight Cu atoms. All Pd–Cu bond lengths are 2.59 Å. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded in a 8-coordinate geometry to four equivalent Pd and four equivalent Cu atoms. All Cu–Cu bond lengths are 2.50 Å. In the second Cu site, Cu is bonded in a body-centered cubic geometry to eight Pd atoms. In the third Cu site, Cu is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. In the fourth Cu site, Cu is bonded in a 10-coordinate geometry to two equivalent Pd and eight equivalent Cu 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: 1758988
• Report Number(s): mp-1225751
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Cu-Pd
Cu3Pd2
crystal structure