U.S. Department of EnergyOffice of Scientific and Technical Information
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.
- Authors:
- Publication Date:
- Other Number(s):
- mp-38994
- 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; 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 = {Sat Jul 18 00:00:00 EDT 2020},
month = {Sat Jul 18 00:00:00 EDT 2020}
}