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Title: 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.

Publication Date:
Other Number(s):
mp-8608
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; 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}
}