U.S. Department of EnergyOffice of Scientific and Technical Information
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.
- Publication Date:
- Other Number(s):
- mp-504884
- 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; As-Cu-S; Cu3AsS3; crystal structure
- OSTI Identifier:
- 1262115
- DOI:
- https://doi.org/10.17188/1262115
Citation Formats
Materials Data on Cu3AsS3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1262115.
Materials Data on Cu3AsS3 by Materials Project. United States. doi:https://doi.org/10.17188/1262115
2020.
"Materials Data on Cu3AsS3 by Materials Project". United States. doi:https://doi.org/10.17188/1262115. https://www.osti.gov/servlets/purl/1262115. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1262115,
title = {Materials Data on Cu3AsS3 by 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},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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