Materials Data on Na3As by Materials Project

Dataset · Tue Jul 14 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1187761· OSTI ID:1187761

The Materials Project

Na3As is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four equivalent As3- atoms. There are one shorter (2.99 Å) and three longer (3.32 Å) Na–As bond lengths. In the second Na1+ site, Na1+ is bonded in a trigonal planar geometry to three equivalent As3- atoms. All Na–As bond lengths are 2.94 Å. As3- is bonded in a 5-coordinate geometry to eleven 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: 1187761
• Report Number(s): mp-1136
• 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