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Title: Materials Data on Cu3SbS4 by Materials Project

Abstract

Cu3SbS4 is Enargite-like structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent SbS4 tetrahedra and corners with eight CuS4 tetrahedra. All Cu–S bond lengths are 2.30 Å. In the second Cu1+ site, Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent SbS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Cu–S bond lengths are 2.31 Å. Sb5+ is bonded to four equivalent S2- atoms to form SbS4 tetrahedra that share corners with twelve CuS4 tetrahedra. All Sb–S bond lengths are 2.47 Å. S2- is bonded to three Cu1+ and one Sb5+ atom to form corner-sharing SCu3Sb tetrahedra.

Publication Date:
Other Number(s):
mp-5702
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; Cu3SbS4; Cu-S-Sb
OSTI Identifier:
1275579
DOI:
10.17188/1275579

Citation Formats

The Materials Project. Materials Data on Cu3SbS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275579.
The Materials Project. Materials Data on Cu3SbS4 by Materials Project. United States. doi:10.17188/1275579.
The Materials Project. 2020. "Materials Data on Cu3SbS4 by Materials Project". United States. doi:10.17188/1275579. https://www.osti.gov/servlets/purl/1275579. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1275579,
title = {Materials Data on Cu3SbS4 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu3SbS4 is Enargite-like structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent SbS4 tetrahedra and corners with eight CuS4 tetrahedra. All Cu–S bond lengths are 2.30 Å. In the second Cu1+ site, Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent SbS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Cu–S bond lengths are 2.31 Å. Sb5+ is bonded to four equivalent S2- atoms to form SbS4 tetrahedra that share corners with twelve CuS4 tetrahedra. All Sb–S bond lengths are 2.47 Å. S2- is bonded to three Cu1+ and one Sb5+ atom to form corner-sharing SCu3Sb tetrahedra.},
doi = {10.17188/1275579},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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