U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Al20(CoB2)3 by Materials Project
Abstract
Al20(CoB2)3 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Co sites. In the first Co site, Co is bonded in a tetrahedral geometry to four equivalent Al atoms. All Co–Al bond lengths are 2.49 Å. In the second Co site, Co is bonded in a cuboctahedral geometry to twelve equivalent Al atoms. All Co–Al bond lengths are 2.70 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to one Co and three equivalent B atoms to form a mixture of distorted edge and corner-sharing AlCoB3 tetrahedra. All Al–B bond lengths are 2.25 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to one Co and two equivalent B atoms. Both Al–B bond lengths are 2.31 Å. B is bonded in a 8-coordinate geometry to eight Al atoms.
- Publication Date:
- Other Number(s):
- mp-1214905
- 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; Al-B-Co; Al20(CoB2)3; crystal structure
- OSTI Identifier:
- 1655840
- DOI:
- https://doi.org/10.17188/1655840
Citation Formats
Materials Data on Al20(CoB2)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1655840.
Materials Data on Al20(CoB2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1655840
2020.
"Materials Data on Al20(CoB2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1655840. https://www.osti.gov/servlets/purl/1655840. Pub date:Wed Apr 29 04:00:00 UTC 2020
@article{osti_1655840,
title = {Materials Data on Al20(CoB2)3 by Materials Project},
abstractNote = {Al20(CoB2)3 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Co sites. In the first Co site, Co is bonded in a tetrahedral geometry to four equivalent Al atoms. All Co–Al bond lengths are 2.49 Å. In the second Co site, Co is bonded in a cuboctahedral geometry to twelve equivalent Al atoms. All Co–Al bond lengths are 2.70 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to one Co and three equivalent B atoms to form a mixture of distorted edge and corner-sharing AlCoB3 tetrahedra. All Al–B bond lengths are 2.25 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to one Co and two equivalent B atoms. Both Al–B bond lengths are 2.31 Å. B is bonded in a 8-coordinate geometry to eight Al atoms.},
doi = {10.17188/1655840},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 04:00:00 UTC 2020},
month = {Wed Apr 29 04:00:00 UTC 2020}
}