Materials Data on AcNb3 by Materials Project

Dataset · Sat May 02 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1716159· OSTI ID:1716159

The Materials Project

AcNb3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ac is bonded in a distorted body-centered cubic geometry to fourteen Nb atoms. There are eight shorter (3.06 Å) and six longer (3.53 Å) Ac–Nb bond lengths. There are two inequivalent Nb sites. In the first Nb site, Nb is bonded to four equivalent Ac and four equivalent Nb atoms to form a mixture of distorted face, edge, and corner-sharing NbAc4Nb4 tetrahedra. All Nb–Nb bond lengths are 3.06 Å. In the second Nb site, Nb is bonded in a 8-coordinate geometry to six equivalent Ac and eight equivalent Nb 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: 1716159
• Report Number(s): mp-1183255
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
AcNb3
Ac-Nb