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Title: Materials Data on CoNiAs2 by Materials Project

Abstract

CoNiAs2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Co4+ is bonded to six equivalent As3- atoms to form CoAs6 octahedra that share corners with twelve equivalent NiAs6 octahedra, edges with six equivalent CoAs6 octahedra, and faces with two equivalent NiAs6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Co–As bond lengths are 2.41 Å. Ni2+ is bonded to six equivalent As3- atoms to form NiAs6 octahedra that share corners with twelve equivalent CoAs6 octahedra, edges with six equivalent NiAs6 octahedra, and faces with two equivalent CoAs6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Ni–As bond lengths are 2.46 Å. As3- is bonded in a 6-coordinate geometry to three equivalent Co4+ and three equivalent Ni2+ atoms.

Publication Date:
Other Number(s):
mp-1226009
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; CoNiAs2; As-Co-Ni
OSTI Identifier:
1727238
DOI:
https://doi.org/10.17188/1727238

Citation Formats

The Materials Project. Materials Data on CoNiAs2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1727238.
The Materials Project. Materials Data on CoNiAs2 by Materials Project. United States. doi:https://doi.org/10.17188/1727238
The Materials Project. 2020. "Materials Data on CoNiAs2 by Materials Project". United States. doi:https://doi.org/10.17188/1727238. https://www.osti.gov/servlets/purl/1727238. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1727238,
title = {Materials Data on CoNiAs2 by Materials Project},
author = {The Materials Project},
abstractNote = {CoNiAs2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Co4+ is bonded to six equivalent As3- atoms to form CoAs6 octahedra that share corners with twelve equivalent NiAs6 octahedra, edges with six equivalent CoAs6 octahedra, and faces with two equivalent NiAs6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Co–As bond lengths are 2.41 Å. Ni2+ is bonded to six equivalent As3- atoms to form NiAs6 octahedra that share corners with twelve equivalent CoAs6 octahedra, edges with six equivalent NiAs6 octahedra, and faces with two equivalent CoAs6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Ni–As bond lengths are 2.46 Å. As3- is bonded in a 6-coordinate geometry to three equivalent Co4+ and three equivalent Ni2+ atoms.},
doi = {10.17188/1727238},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}