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Title: Materials Data on VCoAs by Materials Project

Abstract

VCoAs crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. V2+ is bonded to five equivalent As3- atoms to form distorted VAs5 square pyramids that share corners with eight equivalent VAs5 square pyramids, corners with eight equivalent CoAs4 tetrahedra, edges with six equivalent VAs5 square pyramids, and edges with six equivalent CoAs4 tetrahedra. There are a spread of V–As bond distances ranging from 2.51–2.65 Å. Co1+ is bonded to four equivalent As3- atoms to form CoAs4 tetrahedra that share corners with eight equivalent VAs5 square pyramids, corners with eight equivalent CoAs4 tetrahedra, edges with six equivalent VAs5 square pyramids, and edges with two equivalent CoAs4 tetrahedra. There are a spread of Co–As bond distances ranging from 2.32–2.34 Å. As3- is bonded in a 9-coordinate geometry to five equivalent V2+ and four equivalent Co1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1207799
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; VCoAs; As-Co-V
OSTI Identifier:
1716952
DOI:
https://doi.org/10.17188/1716952

Citation Formats

The Materials Project. Materials Data on VCoAs by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1716952.
The Materials Project. Materials Data on VCoAs by Materials Project. United States. doi:https://doi.org/10.17188/1716952
The Materials Project. 2020. "Materials Data on VCoAs by Materials Project". United States. doi:https://doi.org/10.17188/1716952. https://www.osti.gov/servlets/purl/1716952. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1716952,
title = {Materials Data on VCoAs by Materials Project},
author = {The Materials Project},
abstractNote = {VCoAs crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. V2+ is bonded to five equivalent As3- atoms to form distorted VAs5 square pyramids that share corners with eight equivalent VAs5 square pyramids, corners with eight equivalent CoAs4 tetrahedra, edges with six equivalent VAs5 square pyramids, and edges with six equivalent CoAs4 tetrahedra. There are a spread of V–As bond distances ranging from 2.51–2.65 Å. Co1+ is bonded to four equivalent As3- atoms to form CoAs4 tetrahedra that share corners with eight equivalent VAs5 square pyramids, corners with eight equivalent CoAs4 tetrahedra, edges with six equivalent VAs5 square pyramids, and edges with two equivalent CoAs4 tetrahedra. There are a spread of Co–As bond distances ranging from 2.32–2.34 Å. As3- is bonded in a 9-coordinate geometry to five equivalent V2+ and four equivalent Co1+ atoms.},
doi = {10.17188/1716952},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}