U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on AlFe3B by Materials Project
Abstract
Fe3AlB is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe is bonded in a distorted linear geometry to four equivalent Al and two equivalent B atoms. All Fe–Al bond lengths are 2.70 Å. Both Fe–B bond lengths are 1.91 Å. Al is bonded to twelve equivalent Fe atoms to form AlFe12 cuboctahedra that share corners with twelve equivalent AlFe12 cuboctahedra, faces with six equivalent AlFe12 cuboctahedra, and faces with eight equivalent BFe6 octahedra. B is bonded to six equivalent Fe atoms to form BFe6 octahedra that share corners with six equivalent BFe6 octahedra and faces with eight equivalent AlFe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-1206715
- 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-Fe; AlFe3B; crystal structure
- OSTI Identifier:
- 1741996
- DOI:
- https://doi.org/10.17188/1741996
Citation Formats
Materials Data on AlFe3B by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1741996.
Materials Data on AlFe3B by Materials Project. United States. doi:https://doi.org/10.17188/1741996
2020.
"Materials Data on AlFe3B by Materials Project". United States. doi:https://doi.org/10.17188/1741996. https://www.osti.gov/servlets/purl/1741996. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1741996,
title = {Materials Data on AlFe3B by Materials Project},
abstractNote = {Fe3AlB is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe is bonded in a distorted linear geometry to four equivalent Al and two equivalent B atoms. All Fe–Al bond lengths are 2.70 Å. Both Fe–B bond lengths are 1.91 Å. Al is bonded to twelve equivalent Fe atoms to form AlFe12 cuboctahedra that share corners with twelve equivalent AlFe12 cuboctahedra, faces with six equivalent AlFe12 cuboctahedra, and faces with eight equivalent BFe6 octahedra. B is bonded to six equivalent Fe atoms to form BFe6 octahedra that share corners with six equivalent BFe6 octahedra and faces with eight equivalent AlFe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1741996},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.