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Title: Materials Data on NaAlSi4 by Materials Project

Abstract

NaAlSi4 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. Na is bonded in a 1-coordinate geometry to nine Si atoms. There are a spread of Na–Si bond distances ranging from 2.70–3.09 Å. Al is bonded in a distorted single-bond geometry to five Si atoms. There are one shorter (2.66 Å) and four longer (3.02 Å) Al–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to two equivalent Na, two equivalent Al, and four Si atoms. There are two shorter (2.48 Å) and two longer (2.52 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a distorted single-bond geometry to one Na and four equivalent Si atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to four equivalent Na, one Al, and four equivalent Si atoms.

Publication Date:
Other Number(s):
mp-38994
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; NaAlSi4; Al-Na-Si
OSTI Identifier:
1207595
DOI:
https://doi.org/10.17188/1207595

Citation Formats

The Materials Project. Materials Data on NaAlSi4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207595.
The Materials Project. Materials Data on NaAlSi4 by Materials Project. United States. doi:https://doi.org/10.17188/1207595
The Materials Project. 2020. "Materials Data on NaAlSi4 by Materials Project". United States. doi:https://doi.org/10.17188/1207595. https://www.osti.gov/servlets/purl/1207595. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1207595,
title = {Materials Data on NaAlSi4 by Materials Project},
author = {The Materials Project},
abstractNote = {NaAlSi4 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. Na is bonded in a 1-coordinate geometry to nine Si atoms. There are a spread of Na–Si bond distances ranging from 2.70–3.09 Å. Al is bonded in a distorted single-bond geometry to five Si atoms. There are one shorter (2.66 Å) and four longer (3.02 Å) Al–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to two equivalent Na, two equivalent Al, and four Si atoms. There are two shorter (2.48 Å) and two longer (2.52 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a distorted single-bond geometry to one Na and four equivalent Si atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to four equivalent Na, one Al, and four equivalent Si atoms.},
doi = {10.17188/1207595},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}