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Title: Materials Data on NaCu5S3 by Materials Project

Abstract

NaCu5S3 crystallizes in the hexagonal P6_322 space group. The structure is three-dimensional. Na1+ is bonded in a 9-coordinate geometry to three equivalent Cu1+ and six equivalent S2- atoms. All Na–Cu bond lengths are 2.72 Å. All Na–S bond lengths are 3.06 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a 2-coordinate geometry to one Na1+ and two equivalent S2- atoms. Both Cu–S bond lengths are 2.23 Å. In the second Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three equivalent S2- atoms. All Cu–S bond lengths are 2.39 Å. S2- is bonded in a 6-coordinate geometry to two equivalent Na1+ and four Cu1+ atoms.

Publication Date:
Other Number(s):
mp-28317
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; NaCu5S3; Cu-Na-S
OSTI Identifier:
1202443
DOI:
https://doi.org/10.17188/1202443

Citation Formats

The Materials Project. Materials Data on NaCu5S3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202443.
The Materials Project. Materials Data on NaCu5S3 by Materials Project. United States. doi:https://doi.org/10.17188/1202443
The Materials Project. 2020. "Materials Data on NaCu5S3 by Materials Project". United States. doi:https://doi.org/10.17188/1202443. https://www.osti.gov/servlets/purl/1202443. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1202443,
title = {Materials Data on NaCu5S3 by Materials Project},
author = {The Materials Project},
abstractNote = {NaCu5S3 crystallizes in the hexagonal P6_322 space group. The structure is three-dimensional. Na1+ is bonded in a 9-coordinate geometry to three equivalent Cu1+ and six equivalent S2- atoms. All Na–Cu bond lengths are 2.72 Å. All Na–S bond lengths are 3.06 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a 2-coordinate geometry to one Na1+ and two equivalent S2- atoms. Both Cu–S bond lengths are 2.23 Å. In the second Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three equivalent S2- atoms. All Cu–S bond lengths are 2.39 Å. S2- is bonded in a 6-coordinate geometry to two equivalent Na1+ and four Cu1+ atoms.},
doi = {10.17188/1202443},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}