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Title: Materials Data on Ca(CuAs)2 by Materials Project

Abstract

Ca(CuAs)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca2+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Ca–As bond lengths are 3.19 Å. Cu2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing CuAs4 tetrahedra. All Cu–As bond lengths are 2.47 Å. As3- is bonded in a 9-coordinate geometry to four equivalent Ca2+, four equivalent Cu2+, and one As3- atom. The As–As bond length is 2.64 Å.

Publication Date:
Other Number(s):
mp-1183490
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; Ca(CuAs)2; As-Ca-Cu
OSTI Identifier:
1746832
DOI:
https://doi.org/10.17188/1746832

Citation Formats

The Materials Project. Materials Data on Ca(CuAs)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746832.
The Materials Project. Materials Data on Ca(CuAs)2 by Materials Project. United States. doi:https://doi.org/10.17188/1746832
The Materials Project. 2020. "Materials Data on Ca(CuAs)2 by Materials Project". United States. doi:https://doi.org/10.17188/1746832. https://www.osti.gov/servlets/purl/1746832. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1746832,
title = {Materials Data on Ca(CuAs)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca(CuAs)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca2+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Ca–As bond lengths are 3.19 Å. Cu2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing CuAs4 tetrahedra. All Cu–As bond lengths are 2.47 Å. As3- is bonded in a 9-coordinate geometry to four equivalent Ca2+, four equivalent Cu2+, and one As3- atom. The As–As bond length is 2.64 Å.},
doi = {10.17188/1746832},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}