U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaAs by Materials Project
Abstract
NaAs crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five As1- atoms. There are a spread of Na–As bond distances ranging from 2.97–3.11 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six As1- atoms. There are a spread of Na–As bond distances ranging from 3.01–3.20 Å. There are two inequivalent As1- sites. In the first As1- site, As1- is bonded in a 8-coordinate geometry to six Na1+ and two equivalent As1- atoms. There are one shorter (2.49 Å) and one longer (2.53 Å) As–As bond lengths. In the second As1- site, As1- is bonded in a 7-coordinate geometry to five Na1+ and two equivalent As1- atoms.
- Publication Date:
- Other Number(s):
- mp-1188662
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; As-Na; NaAs; crystal structure
- OSTI Identifier:
- 1679366
- DOI:
- https://doi.org/10.17188/1679366
Citation Formats
Materials Data on NaAs by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1679366.
Materials Data on NaAs by Materials Project. United States. doi:https://doi.org/10.17188/1679366
2020.
"Materials Data on NaAs by Materials Project". United States. doi:https://doi.org/10.17188/1679366. https://www.osti.gov/servlets/purl/1679366. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1679366,
title = {Materials Data on NaAs by Materials Project},
abstractNote = {NaAs crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five As1- atoms. There are a spread of Na–As bond distances ranging from 2.97–3.11 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six As1- atoms. There are a spread of Na–As bond distances ranging from 3.01–3.20 Å. There are two inequivalent As1- sites. In the first As1- site, As1- is bonded in a 8-coordinate geometry to six Na1+ and two equivalent As1- atoms. There are one shorter (2.49 Å) and one longer (2.53 Å) As–As bond lengths. In the second As1- site, As1- is bonded in a 7-coordinate geometry to five Na1+ and two equivalent As1- atoms.},
doi = {10.17188/1679366},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}