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Title: Materials Data on NaAs by Materials Project

Abstract

NaAs crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first 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 3.04–3.17 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 3.08–3.26 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 8-coordinate geometry to six Na1+ and two equivalent As1- atoms.

Publication Date:
Other Number(s):
mp-1106381
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; NaAs; As-Na
OSTI Identifier:
1685623
DOI:
https://doi.org/10.17188/1685623

Citation Formats

The Materials Project. Materials Data on NaAs by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685623.
The Materials Project. Materials Data on NaAs by Materials Project. United States. doi:https://doi.org/10.17188/1685623
The Materials Project. 2020. "Materials Data on NaAs by Materials Project". United States. doi:https://doi.org/10.17188/1685623. https://www.osti.gov/servlets/purl/1685623. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1685623,
title = {Materials Data on NaAs by Materials Project},
author = {The Materials Project},
abstractNote = {NaAs crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first 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 3.04–3.17 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 3.08–3.26 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 8-coordinate geometry to six Na1+ and two equivalent As1- atoms.},
doi = {10.17188/1685623},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}