U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cu5As2 by Materials Project
Abstract
Cu5As2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Cu+1.20+ sites. In the first Cu+1.20+ site, Cu+1.20+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent As3- atoms. There are a spread of Cu–As bond distances ranging from 2.49–2.80 Å. In the second Cu+1.20+ site, Cu+1.20+ is bonded to four equivalent As3- atoms to form a mixture of distorted edge and corner-sharing CuAs4 tetrahedra. All Cu–As bond lengths are 2.55 Å. In the third Cu+1.20+ site, Cu+1.20+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing CuAs4 tetrahedra. There are a spread of Cu–As bond distances ranging from 2.53–2.62 Å. As3- is bonded in a 10-coordinate geometry to ten Cu+1.20+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-504746
- 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; Cu5As2; As-Cu
- OSTI Identifier:
- 1262030
- DOI:
- https://doi.org/10.17188/1262030
Citation Formats
The Materials Project. Materials Data on Cu5As2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1262030.
The Materials Project. Materials Data on Cu5As2 by Materials Project. United States. doi:https://doi.org/10.17188/1262030
The Materials Project. 2020.
"Materials Data on Cu5As2 by Materials Project". United States. doi:https://doi.org/10.17188/1262030. https://www.osti.gov/servlets/purl/1262030. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1262030,
title = {Materials Data on Cu5As2 by Materials Project},
author = {The Materials Project},
abstractNote = {Cu5As2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Cu+1.20+ sites. In the first Cu+1.20+ site, Cu+1.20+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent As3- atoms. There are a spread of Cu–As bond distances ranging from 2.49–2.80 Å. In the second Cu+1.20+ site, Cu+1.20+ is bonded to four equivalent As3- atoms to form a mixture of distorted edge and corner-sharing CuAs4 tetrahedra. All Cu–As bond lengths are 2.55 Å. In the third Cu+1.20+ site, Cu+1.20+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing CuAs4 tetrahedra. There are a spread of Cu–As bond distances ranging from 2.53–2.62 Å. As3- is bonded in a 10-coordinate geometry to ten Cu+1.20+ atoms.},
doi = {10.17188/1262030},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}