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Title: Materials Data on CoAs2 by Materials Project

Abstract

CoAs2 is Marcasite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Co4+ is bonded to six As2- atoms to form a mixture of edge and corner-sharing CoAs6 octahedra. The corner-sharing octahedra tilt angles range from 51–58°. There are a spread of Co–As bond distances ranging from 2.32–2.42 Å. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded in a 4-coordinate geometry to three equivalent Co4+ and one As2- atom. The As–As bond length is 2.51 Å. In the second As2- site, As2- is bonded in a 4-coordinate geometry to three equivalent Co4+ and one As2- atom.

Publication Date:
Other Number(s):
mp-2715
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; CoAs2; As-Co
OSTI Identifier:
1201370
DOI:
10.17188/1201370

Citation Formats

The Materials Project. Materials Data on CoAs2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1201370.
The Materials Project. Materials Data on CoAs2 by Materials Project. United States. doi:10.17188/1201370.
The Materials Project. 2020. "Materials Data on CoAs2 by Materials Project". United States. doi:10.17188/1201370. https://www.osti.gov/servlets/purl/1201370. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1201370,
title = {Materials Data on CoAs2 by Materials Project},
author = {The Materials Project},
abstractNote = {CoAs2 is Marcasite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Co4+ is bonded to six As2- atoms to form a mixture of edge and corner-sharing CoAs6 octahedra. The corner-sharing octahedra tilt angles range from 51–58°. There are a spread of Co–As bond distances ranging from 2.32–2.42 Å. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded in a 4-coordinate geometry to three equivalent Co4+ and one As2- atom. The As–As bond length is 2.51 Å. In the second As2- site, As2- is bonded in a 4-coordinate geometry to three equivalent Co4+ and one As2- atom.},
doi = {10.17188/1201370},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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