Materials Data on K3Ag3As2 by Materials Project
Abstract
K3Ag3As2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to four equivalent As3- atoms to form a mixture of distorted edge and corner-sharing KAs4 trigonal pyramids. There are one shorter (3.32 Å) and three longer (3.52 Å) K–As bond lengths. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent As3- atoms. All K–As bond lengths are 3.91 Å. Ag1+ is bonded in a linear geometry to two equivalent As3- atoms. Both Ag–As bond lengths are 2.58 Å. As3- is bonded in a 7-coordinate geometry to seven K1+ and three equivalent Ag1+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-14206
- 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; K3Ag3As2; Ag-As-K
- OSTI Identifier:
- 1190554
- DOI:
- https://doi.org/10.17188/1190554
Citation Formats
The Materials Project. Materials Data on K3Ag3As2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1190554.
The Materials Project. Materials Data on K3Ag3As2 by Materials Project. United States. doi:https://doi.org/10.17188/1190554
The Materials Project. 2020.
"Materials Data on K3Ag3As2 by Materials Project". United States. doi:https://doi.org/10.17188/1190554. https://www.osti.gov/servlets/purl/1190554. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1190554,
title = {Materials Data on K3Ag3As2 by Materials Project},
author = {The Materials Project},
abstractNote = {K3Ag3As2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to four equivalent As3- atoms to form a mixture of distorted edge and corner-sharing KAs4 trigonal pyramids. There are one shorter (3.32 Å) and three longer (3.52 Å) K–As bond lengths. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent As3- atoms. All K–As bond lengths are 3.91 Å. Ag1+ is bonded in a linear geometry to two equivalent As3- atoms. Both Ag–As bond lengths are 2.58 Å. As3- is bonded in a 7-coordinate geometry to seven K1+ and three equivalent Ag1+ atoms.},
doi = {10.17188/1190554},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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