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.
- Authors:
- Publication Date:
- Other Number(s):
- mp-28317
- 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; 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}
}
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