Materials Data on Na3As by Materials Project

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

DOI:https://doi.org/10.17188/1312772· OSTI ID:1312772

The Materials Project

Na3As is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four equivalent Na1+ and four equivalent As3- atoms to form a mixture of edge, corner, and face-sharing NaNa4As4 tetrahedra. All Na–Na bond lengths are 3.11 Å. All Na–As bond lengths are 3.11 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to eight equivalent Na1+ and six equivalent As3- atoms. All Na–As bond lengths are 3.59 Å. As3- is bonded in a body-centered cubic geometry to fourteen Na1+ 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: 1312772
• Report Number(s): mp-8860
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Na3As
As-Na