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Title: Materials Data on NaS by Materials Project

Abstract

NaS crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six S1- atoms. There are four shorter (2.86 Å) and two longer (2.89 Å) Na–S bond lengths. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six S1- atoms. There are two shorter (2.94 Å) and four longer (2.96 Å) Na–S bond lengths. There are two inequivalent S1- sites. In the first S1- site, S1- is bonded in a 7-coordinate geometry to six Na1+ and one S1- atom. The S–S bond length is 2.15 Å. In the second S1- site, S1- is bonded in a 7-coordinate geometry to six Na1+ and one S1- atom. The S–S bond length is 2.14 Å.

Publication Date:
Other Number(s):
mp-409
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; NaS; Na-S
OSTI Identifier:
1207840
DOI:
https://doi.org/10.17188/1207840

Citation Formats

The Materials Project. Materials Data on NaS by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207840.
The Materials Project. Materials Data on NaS by Materials Project. United States. doi:https://doi.org/10.17188/1207840
The Materials Project. 2020. "Materials Data on NaS by Materials Project". United States. doi:https://doi.org/10.17188/1207840. https://www.osti.gov/servlets/purl/1207840. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1207840,
title = {Materials Data on NaS by Materials Project},
author = {The Materials Project},
abstractNote = {NaS crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six S1- atoms. There are four shorter (2.86 Å) and two longer (2.89 Å) Na–S bond lengths. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six S1- atoms. There are two shorter (2.94 Å) and four longer (2.96 Å) Na–S bond lengths. There are two inequivalent S1- sites. In the first S1- site, S1- is bonded in a 7-coordinate geometry to six Na1+ and one S1- atom. The S–S bond length is 2.15 Å. In the second S1- site, S1- is bonded in a 7-coordinate geometry to six Na1+ and one S1- atom. The S–S bond length is 2.14 Å.},
doi = {10.17188/1207840},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}