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Title: Materials Data on NaSi by Materials Project

Abstract

NaSi crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 3-coordinate geometry to six Si atoms. There are a spread of Na–Si bond distances ranging from 3.01–3.40 Å. In the second Na site, Na is bonded in a 4-coordinate geometry to five Si atoms. There are a spread of Na–Si bond distances ranging from 2.88–3.31 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six Na and three Si atoms. There are a spread of Si–Si bond distances ranging from 2.40–2.48 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to five Na and three Si atoms. The Si–Si bond length is 2.42 Å.

Publication Date:
Other Number(s):
mp-2402
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; NaSi; Na-Si
OSTI Identifier:
1199867
DOI:
https://doi.org/10.17188/1199867

Citation Formats

The Materials Project. Materials Data on NaSi by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199867.
The Materials Project. Materials Data on NaSi by Materials Project. United States. doi:https://doi.org/10.17188/1199867
The Materials Project. 2020. "Materials Data on NaSi by Materials Project". United States. doi:https://doi.org/10.17188/1199867. https://www.osti.gov/servlets/purl/1199867. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1199867,
title = {Materials Data on NaSi by Materials Project},
author = {The Materials Project},
abstractNote = {NaSi crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 3-coordinate geometry to six Si atoms. There are a spread of Na–Si bond distances ranging from 3.01–3.40 Å. In the second Na site, Na is bonded in a 4-coordinate geometry to five Si atoms. There are a spread of Na–Si bond distances ranging from 2.88–3.31 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six Na and three Si atoms. There are a spread of Si–Si bond distances ranging from 2.40–2.48 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to five Na and three Si atoms. The Si–Si bond length is 2.42 Å.},
doi = {10.17188/1199867},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}