Materials Data on Pd3N by Materials Project

Dataset · Fri Jul 24 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1317535· OSTI ID:1317535

The Materials Project

Pd3N is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Pd–Pd bond lengths are 2.62 Å. In the second Pd site, Pd is bonded to four equivalent Pd and four equivalent N atoms to form a mixture of distorted edge, face, and corner-sharing PdPd4N4 tetrahedra. All Pd–N bond lengths are 2.62 Å. N is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1317535
• Report Number(s): mp-999296
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Pd3N
N-Pd