Materials Data on NpAu3 by Materials Project

Dataset · Sat Jul 18 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1310019· OSTI ID:1310019

The Materials Project

NpAu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Np3+ is bonded in a distorted body-centered cubic geometry to fourteen Au1- atoms. There are eight shorter (3.02 Å) and six longer (3.49 Å) Np–Au bond lengths. There are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded to four equivalent Np3+ and four equivalent Au1- atoms to form a mixture of distorted face, edge, and corner-sharing AuNp4Au4 tetrahedra. All Au–Au bond lengths are 3.02 Å. In the second Au1- site, Au1- is bonded in a 8-coordinate geometry to six equivalent Np3+ and eight equivalent Au1- 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: 1310019
• Report Number(s): mp-864613
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
NpAu3
Au-Np