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Title: Materials Data on NaS2 by Materials Project

Abstract

NaSS crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 4-coordinate geometry to six S atoms. There are a spread of Na–S bond distances ranging from 2.85–3.27 Å. In the second Na site, Na is bonded in a 6-coordinate geometry to six S atoms. There are a spread of Na–S bond distances ranging from 2.91–3.11 Å. There are two inequivalent S sites. In the first S site, S is bonded in a 5-coordinate geometry to four Na and one S atom. The S–S bond length is 2.09 Å. In the second S site, S is bonded in a 4-coordinate geometry to two Na and two S atoms. The S–S bond length is 2.07 Å.

Publication Date:
Other Number(s):
mp-12180
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; NaS2; Na-S
OSTI Identifier:
1188640
DOI:
10.17188/1188640

Citation Formats

The Materials Project. Materials Data on NaS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188640.
The Materials Project. Materials Data on NaS2 by Materials Project. United States. doi:10.17188/1188640.
The Materials Project. 2020. "Materials Data on NaS2 by Materials Project". United States. doi:10.17188/1188640. https://www.osti.gov/servlets/purl/1188640. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1188640,
title = {Materials Data on NaS2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaSS crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 4-coordinate geometry to six S atoms. There are a spread of Na–S bond distances ranging from 2.85–3.27 Å. In the second Na site, Na is bonded in a 6-coordinate geometry to six S atoms. There are a spread of Na–S bond distances ranging from 2.91–3.11 Å. There are two inequivalent S sites. In the first S site, S is bonded in a 5-coordinate geometry to four Na and one S atom. The S–S bond length is 2.09 Å. In the second S site, S is bonded in a 4-coordinate geometry to two Na and two S atoms. The S–S bond length is 2.07 Å.},
doi = {10.17188/1188640},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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