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Title: 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°.

Authors:
Publication Date:
Other Number(s):
mp-1206715
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; AlFe3B; Al-B-Fe
OSTI Identifier:
1741996
DOI:
https://doi.org/10.17188/1741996

Citation Formats

The Materials Project. Materials Data on AlFe3B by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1741996.
The Materials Project. Materials Data on AlFe3B by Materials Project. United States. doi:https://doi.org/10.17188/1741996
The Materials Project. 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 00:00:00 EDT 2020
@article{osti_1741996,
title = {Materials Data on AlFe3B by Materials Project},
author = {The 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}
}