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Title: Materials Data on Na3Al by Materials Project

Abstract

Na3Al is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to four equivalent Na and four equivalent Al atoms to form a mixture of distorted corner, edge, and face-sharing NaNa4Al4 tetrahedra. All Na–Na bond lengths are 3.32 Å. All Na–Al bond lengths are 3.32 Å. In the second Na site, Na is bonded in a body-centered cubic geometry to eight equivalent Na atoms. Al is bonded in a body-centered cubic geometry to eight equivalent Na atoms.

Authors:
Publication Date:
Other Number(s):
mp-974270
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Na3Al; Al-Na
OSTI Identifier:
1314446
DOI:
https://doi.org/10.17188/1314446

Citation Formats

The Materials Project. Materials Data on Na3Al by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1314446.
The Materials Project. Materials Data on Na3Al by Materials Project. United States. doi:https://doi.org/10.17188/1314446
The Materials Project. 2020. "Materials Data on Na3Al by Materials Project". United States. doi:https://doi.org/10.17188/1314446. https://www.osti.gov/servlets/purl/1314446. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1314446,
title = {Materials Data on Na3Al by Materials Project},
author = {The Materials Project},
abstractNote = {Na3Al is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to four equivalent Na and four equivalent Al atoms to form a mixture of distorted corner, edge, and face-sharing NaNa4Al4 tetrahedra. All Na–Na bond lengths are 3.32 Å. All Na–Al bond lengths are 3.32 Å. In the second Na site, Na is bonded in a body-centered cubic geometry to eight equivalent Na atoms. Al is bonded in a body-centered cubic geometry to eight equivalent Na atoms.},
doi = {10.17188/1314446},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}