Materials Data on CuAsS by Materials Project
Abstract
CuAsS crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cu3+ is bonded to one As1- and three equivalent S2- atoms to form CuAsS3 tetrahedra that share a cornercorner with one SCu3As tetrahedra and corners with six equivalent CuAsS3 tetrahedra. The Cu–As bond length is 2.41 Å. All Cu–S bond lengths are 2.30 Å. As1- is bonded in a 2-coordinate geometry to one Cu3+, two equivalent As1-, and one S2- atom. Both As–As bond lengths are 2.55 Å. The As–S bond length is 2.30 Å. S2- is bonded to three equivalent Cu3+ and one As1- atom to form SCu3As tetrahedra that share a cornercorner with one CuAsS3 tetrahedra and corners with six equivalent SCu3As tetrahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-5305
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; CuAsS; As-Cu-S
- OSTI Identifier:
- 1263236
- DOI:
- https://doi.org/10.17188/1263236
Citation Formats
The Materials Project. Materials Data on CuAsS by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1263236.
The Materials Project. Materials Data on CuAsS by Materials Project. United States. doi:https://doi.org/10.17188/1263236
The Materials Project. 2020.
"Materials Data on CuAsS by Materials Project". United States. doi:https://doi.org/10.17188/1263236. https://www.osti.gov/servlets/purl/1263236. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1263236,
title = {Materials Data on CuAsS by Materials Project},
author = {The Materials Project},
abstractNote = {CuAsS crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cu3+ is bonded to one As1- and three equivalent S2- atoms to form CuAsS3 tetrahedra that share a cornercorner with one SCu3As tetrahedra and corners with six equivalent CuAsS3 tetrahedra. The Cu–As bond length is 2.41 Å. All Cu–S bond lengths are 2.30 Å. As1- is bonded in a 2-coordinate geometry to one Cu3+, two equivalent As1-, and one S2- atom. Both As–As bond lengths are 2.55 Å. The As–S bond length is 2.30 Å. S2- is bonded to three equivalent Cu3+ and one As1- atom to form SCu3As tetrahedra that share a cornercorner with one CuAsS3 tetrahedra and corners with six equivalent SCu3As tetrahedra.},
doi = {10.17188/1263236},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}
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