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Title: Materials Data on Cu3SbS3 by Materials Project

Abstract

Cu3SbS3 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in an L-shaped geometry to two equivalent S2- atoms. Both Cu–S bond lengths are 2.38 Å. In the second Cu1+ site, Cu1+ is bonded to four equivalent S2- atoms to form corner-sharing CuS4 tetrahedra. All Cu–S bond lengths are 2.29 Å. Sb3+ is bonded in a distorted T-shaped geometry to three equivalent S2- atoms. All Sb–S bond lengths are 2.46 Å. S2- is bonded to three Cu1+ and one Sb3+ atom to form distorted corner-sharing SCu3Sb tetrahedra.

Publication Date:
Other Number(s):
mp-647606
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; Cu3SbS3; Cu-S-Sb
OSTI Identifier:
1280733
DOI:
https://doi.org/10.17188/1280733

Citation Formats

The Materials Project. Materials Data on Cu3SbS3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280733.
The Materials Project. Materials Data on Cu3SbS3 by Materials Project. United States. doi:https://doi.org/10.17188/1280733
The Materials Project. 2020. "Materials Data on Cu3SbS3 by Materials Project". United States. doi:https://doi.org/10.17188/1280733. https://www.osti.gov/servlets/purl/1280733. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1280733,
title = {Materials Data on Cu3SbS3 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu3SbS3 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in an L-shaped geometry to two equivalent S2- atoms. Both Cu–S bond lengths are 2.38 Å. In the second Cu1+ site, Cu1+ is bonded to four equivalent S2- atoms to form corner-sharing CuS4 tetrahedra. All Cu–S bond lengths are 2.29 Å. Sb3+ is bonded in a distorted T-shaped geometry to three equivalent S2- atoms. All Sb–S bond lengths are 2.46 Å. S2- is bonded to three Cu1+ and one Sb3+ atom to form distorted corner-sharing SCu3Sb tetrahedra.},
doi = {10.17188/1280733},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}