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Title: Materials Data on Na3As by Materials Project

Abstract

Na3As crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a trigonal planar geometry to three equivalent As3- atoms. All Na–As bond lengths are 2.95 Å. In the second Na1+ site, Na1+ is bonded in a trigonal planar geometry to three equivalent As3- atoms. All Na–As bond lengths are 2.96 Å. In the third Na1+ site, Na1+ is bonded in a distorted trigonal planar geometry to three equivalent As3- atoms. There are one shorter (3.00 Å) and two longer (3.20 Å) Na–As bond lengths. In the fourth Na1+ site, Na1+ is bonded in a 2-coordinate geometry to four equivalent As3- atoms. There are a spread of Na–As bond distances ranging from 3.01–3.43 Å. As3- is bonded in a 8-coordinate geometry to ten Na1+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-655
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; Na3As; As-Na
OSTI Identifier:
1281293
DOI:
10.17188/1281293

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Na3As by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281293.
Persson, Kristin, & Project, Materials. Materials Data on Na3As by Materials Project. United States. doi:10.17188/1281293.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Na3As by Materials Project". United States. doi:10.17188/1281293. https://www.osti.gov/servlets/purl/1281293. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1281293,
title = {Materials Data on Na3As by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Na3As crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a trigonal planar geometry to three equivalent As3- atoms. All Na–As bond lengths are 2.95 Å. In the second Na1+ site, Na1+ is bonded in a trigonal planar geometry to three equivalent As3- atoms. All Na–As bond lengths are 2.96 Å. In the third Na1+ site, Na1+ is bonded in a distorted trigonal planar geometry to three equivalent As3- atoms. There are one shorter (3.00 Å) and two longer (3.20 Å) Na–As bond lengths. In the fourth Na1+ site, Na1+ is bonded in a 2-coordinate geometry to four equivalent As3- atoms. There are a spread of Na–As bond distances ranging from 3.01–3.43 Å. As3- is bonded in a 8-coordinate geometry to ten Na1+ atoms.},
doi = {10.17188/1281293},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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