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;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; As-Co; CoAs2; crystal structure
OSTI Identifier:
1201370
DOI:
https://doi.org/10.17188/1201370

Citation Formats

Materials Data on CoAs2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1201370.
Copy to clipboard
Materials Data on CoAs2 by Materials Project. United States. doi:https://doi.org/10.17188/1201370
Copy to clipboard
2020. "Materials Data on CoAs2 by Materials Project". United States. doi:https://doi.org/10.17188/1201370. https://www.osti.gov/servlets/purl/1201370. Pub date:Tue Jul 14 20:00:00 EDT 2020
Copy to clipboard
@article{osti_1201370,
title = {Materials Data on CoAs2 by 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}
}
Copy to clipboard
Dataset:
View Dataset
DOI: https://doi.org/10.17188/1201370
Save / Share:
Export Metadata
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.

Similar records in DOE Data Explorer and OSTI.GOV collections: