Materials Data on Cu3As by Materials Project
Abstract
Cu3As crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. there are three inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three equivalent As3- atoms. All Cu–As bond lengths are 2.42 Å. In the second Cu1+ site, Cu1+ is bonded in a trigonal non-coplanar geometry to three equivalent As3- atoms. All Cu–As bond lengths are 2.49 Å. In the third Cu1+ site, Cu1+ is bonded in a 3-coordinate geometry to three equivalent As3- atoms. There are a spread of Cu–As bond distances ranging from 2.47–2.64 Å. As3- is bonded in a 9-coordinate geometry to nine Cu1+ atoms.
- Authors:
- Contributors:
-
Researcher:
- Publication Date:
- Other Number(s):
- mp-8066
- 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; Cu3As; As-Cu
- OSTI Identifier:
- 1282041
- DOI:
- 10.17188/1282041
Citation Formats
Persson, Kristin, and Project, Materials. Materials Data on Cu3As by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1282041.
Persson, Kristin, & Project, Materials. Materials Data on Cu3As by Materials Project. United States. doi:10.17188/1282041.
Persson, Kristin, and Project, Materials. 2020.
"Materials Data on Cu3As by Materials Project". United States. doi:10.17188/1282041. https://www.osti.gov/servlets/purl/1282041. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1282041,
title = {Materials Data on Cu3As by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Cu3As crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. there are three inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three equivalent As3- atoms. All Cu–As bond lengths are 2.42 Å. In the second Cu1+ site, Cu1+ is bonded in a trigonal non-coplanar geometry to three equivalent As3- atoms. All Cu–As bond lengths are 2.49 Å. In the third Cu1+ site, Cu1+ is bonded in a 3-coordinate geometry to three equivalent As3- atoms. There are a spread of Cu–As bond distances ranging from 2.47–2.64 Å. As3- is bonded in a 9-coordinate geometry to nine Cu1+ atoms.},
doi = {10.17188/1282041},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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