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Title: Materials Data on Cu3SbS4 by Materials Project

Abstract

Cu3SbS4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Cu–S bond lengths are 2.57 Å. In the second Cu1+ site, Cu1+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Cu–S bond lengths are 2.57 Å. Sb5+ is bonded in a tetrahedral geometry to four equivalent S2- atoms. All Sb–S bond lengths are 2.37 Å. S2- is bonded in a 4-coordinate geometry to three equivalent Cu1+ and one Sb5+ atom.

Publication Date:
Other Number(s):
mp-649627
DOE Contract Number:  
AC02-05CH11231
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; Cu-S-Sb; Cu3SbS4; crystal structure
OSTI Identifier:
1280906
DOI:
https://doi.org/10.17188/1280906

Citation Formats

Materials Data on Cu3SbS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280906.
Materials Data on Cu3SbS4 by Materials Project. United States. doi:https://doi.org/10.17188/1280906
2020. "Materials Data on Cu3SbS4 by Materials Project". United States. doi:https://doi.org/10.17188/1280906. https://www.osti.gov/servlets/purl/1280906. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1280906,
title = {Materials Data on Cu3SbS4 by Materials Project},
abstractNote = {Cu3SbS4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Cu–S bond lengths are 2.57 Å. In the second Cu1+ site, Cu1+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Cu–S bond lengths are 2.57 Å. Sb5+ is bonded in a tetrahedral geometry to four equivalent S2- atoms. All Sb–S bond lengths are 2.37 Å. S2- is bonded in a 4-coordinate geometry to three equivalent Cu1+ and one Sb5+ atom.},
doi = {10.17188/1280906},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}