U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K(Cu2As)2 by Materials Project
Abstract
K(Cu2As)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent As3- atoms to form distorted edge-sharing KAs6 octahedra. All K–As bond lengths are 3.37 Å. There are two inequivalent Cu+1.25+ sites. In the first Cu+1.25+ site, Cu+1.25+ is bonded in a 1-coordinate geometry to four equivalent As3- atoms. There are one shorter (2.50 Å) and three longer (2.76 Å) Cu–As bond lengths. In the second Cu+1.25+ site, Cu+1.25+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent As3- atoms. All Cu–As bond lengths are 2.44 Å. As3- is bonded in a 10-coordinate geometry to three equivalent K1+ and seven Cu+1.25+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-8608
- 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; K(Cu2As)2; As-Cu-K
- OSTI Identifier:
- 1309180
- DOI:
- https://doi.org/10.17188/1309180
Citation Formats
The Materials Project. Materials Data on K(Cu2As)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1309180.
The Materials Project. Materials Data on K(Cu2As)2 by Materials Project. United States. doi:https://doi.org/10.17188/1309180
The Materials Project. 2020.
"Materials Data on K(Cu2As)2 by Materials Project". United States. doi:https://doi.org/10.17188/1309180. https://www.osti.gov/servlets/purl/1309180. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1309180,
title = {Materials Data on K(Cu2As)2 by Materials Project},
author = {The Materials Project},
abstractNote = {K(Cu2As)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent As3- atoms to form distorted edge-sharing KAs6 octahedra. All K–As bond lengths are 3.37 Å. There are two inequivalent Cu+1.25+ sites. In the first Cu+1.25+ site, Cu+1.25+ is bonded in a 1-coordinate geometry to four equivalent As3- atoms. There are one shorter (2.50 Å) and three longer (2.76 Å) Cu–As bond lengths. In the second Cu+1.25+ site, Cu+1.25+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent As3- atoms. All Cu–As bond lengths are 2.44 Å. As3- is bonded in a 10-coordinate geometry to three equivalent K1+ and seven Cu+1.25+ atoms.},
doi = {10.17188/1309180},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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