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Title: Materials Data on CoAs3 by Materials Project

Abstract

CoAs3 is Skutterudite structured and crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Co1+ is bonded to six equivalent As+0.33- atoms to form corner-sharing CoAs6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Co–As bond lengths are 2.35 Å. As+0.33- is bonded in a distorted bent 120 degrees geometry to two equivalent Co1+ and two equivalent As+0.33- atoms. There are one shorter (2.51 Å) and one longer (2.63 Å) As–As bond lengths.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-452
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; CoAs3; As-Co
OSTI Identifier:
1208226
DOI:
10.17188/1208226

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CoAs3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1208226.
Persson, Kristin, & Project, Materials. Materials Data on CoAs3 by Materials Project. United States. doi:10.17188/1208226.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on CoAs3 by Materials Project". United States. doi:10.17188/1208226. https://www.osti.gov/servlets/purl/1208226. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1208226,
title = {Materials Data on CoAs3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CoAs3 is Skutterudite structured and crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Co1+ is bonded to six equivalent As+0.33- atoms to form corner-sharing CoAs6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Co–As bond lengths are 2.35 Å. As+0.33- is bonded in a distorted bent 120 degrees geometry to two equivalent Co1+ and two equivalent As+0.33- atoms. There are one shorter (2.51 Å) and one longer (2.63 Å) As–As bond lengths.},
doi = {10.17188/1208226},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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