Materials Data on NaMo3 by Materials Project

Dataset · Mon Jul 20 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1315522· OSTI ID:1315522

The Materials Project

NaMo3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a distorted body-centered cubic geometry to fourteen Mo atoms. There are eight shorter (2.78 Å) and six longer (3.20 Å) Na–Mo bond lengths. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded to four equivalent Na and four equivalent Mo atoms to form a mixture of distorted corner, edge, and face-sharing MoNa4Mo4 tetrahedra. All Mo–Mo bond lengths are 2.78 Å. In the second Mo site, Mo is bonded in a 8-coordinate geometry to six equivalent Na and eight equivalent Mo 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: 1315522
• Report Number(s): mp-977181
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
NaMo3
Mo-Na