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Title: Materials Data on Cu3AsS3 by Materials Project

Abstract

Cu3AsS3 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 to four equivalent S2- atoms to form corner-sharing CuS4 tetrahedra. All Cu–S bond lengths are 2.30 Å. In the second Cu1+ site, Cu1+ is bonded in an L-shaped geometry to two equivalent S2- atoms. Both Cu–S bond lengths are 2.34 Å. As3+ is bonded in a distorted T-shaped geometry to three equivalent S2- atoms. All As–S bond lengths are 2.28 Å. S2- is bonded to three Cu1+ and one As3+ atom to form corner-sharing SCu3As tetrahedra.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1262115
Report Number(s):
mp-504884
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Cu3AsS3; As-Cu-S

Citation Formats

The Materials Project. Materials Data on Cu3AsS3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262115.
The Materials Project. Materials Data on Cu3AsS3 by Materials Project. United States. https://doi.org/10.17188/1262115
The Materials Project. Thu . "Materials Data on Cu3AsS3 by Materials Project". United States. https://doi.org/10.17188/1262115. https://www.osti.gov/servlets/purl/1262115.
@article{osti_1262115,
title = {Materials Data on Cu3AsS3 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu3AsS3 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 to four equivalent S2- atoms to form corner-sharing CuS4 tetrahedra. All Cu–S bond lengths are 2.30 Å. In the second Cu1+ site, Cu1+ is bonded in an L-shaped geometry to two equivalent S2- atoms. Both Cu–S bond lengths are 2.34 Å. As3+ is bonded in a distorted T-shaped geometry to three equivalent S2- atoms. All As–S bond lengths are 2.28 Å. S2- is bonded to three Cu1+ and one As3+ atom to form corner-sharing SCu3As tetrahedra.},
doi = {10.17188/1262115},
url = {https://www.osti.gov/biblio/1262115}, journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}