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

Abstract

Ca(NiAs)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca2+ is bonded in a distorted body-centered cubic geometry to eight equivalent As3- atoms. All Ca–As bond lengths are 3.17 Å. Ni2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing NiAs4 tetrahedra. All Ni–As bond lengths are 2.36 Å. As3- is bonded in a 9-coordinate geometry to four equivalent Ca2+, four equivalent Ni2+, and one As3- atom. The As–As bond length is 2.62 Å.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-4744
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(NiAs)2; As-Ca-Ni
OSTI Identifier:
1208373
DOI:
10.17188/1208373

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ca(NiAs)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1208373.
Persson, Kristin, & Project, Materials. Materials Data on Ca(NiAs)2 by Materials Project. United States. doi:10.17188/1208373.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ca(NiAs)2 by Materials Project". United States. doi:10.17188/1208373. https://www.osti.gov/servlets/purl/1208373. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1208373,
title = {Materials Data on Ca(NiAs)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ca(NiAs)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca2+ is bonded in a distorted body-centered cubic geometry to eight equivalent As3- atoms. All Ca–As bond lengths are 3.17 Å. Ni2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing NiAs4 tetrahedra. All Ni–As bond lengths are 2.36 Å. As3- is bonded in a 9-coordinate geometry to four equivalent Ca2+, four equivalent Ni2+, and one As3- atom. The As–As bond length is 2.62 Å.},
doi = {10.17188/1208373},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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