U.S. Department of EnergyOffice of Scientific and Technical Information
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.
- Publication Date:
- Other Number(s):
- mp-1207799
- 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-V; VCoAs; crystal structure
- OSTI Identifier:
- 1716952
- DOI:
- https://doi.org/10.17188/1716952
Citation Formats
Materials Data on VCoAs by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1716952.
Materials Data on VCoAs by Materials Project. United States. doi:https://doi.org/10.17188/1716952
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 04:00:00 UTC 2020
@article{osti_1716952,
title = {Materials Data on VCoAs by 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}
}