U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ZrAlFe4 by Materials Project
Abstract
ZrFe4Al is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to twelve equivalent Fe and four equivalent Al atoms. All Zr–Fe bond lengths are 2.81 Å. All Zr–Al bond lengths are 2.93 Å. Fe is bonded to three equivalent Zr, six equivalent Fe, and three equivalent Al atoms to form a mixture of corner, edge, and face-sharing FeZr3Al3Fe6 cuboctahedra. There are three shorter (2.37 Å) and three longer (2.41 Å) Fe–Fe bond lengths. All Fe–Al bond lengths are 2.80 Å. Al is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Fe atoms.
- Publication Date:
- Other Number(s):
- mp-1215319
- 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-Fe-Zr; ZrAlFe4; crystal structure
- OSTI Identifier:
- 1726969
- DOI:
- https://doi.org/10.17188/1726969
Citation Formats
Materials Data on ZrAlFe4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1726969.
Materials Data on ZrAlFe4 by Materials Project. United States. doi:https://doi.org/10.17188/1726969
2020.
"Materials Data on ZrAlFe4 by Materials Project". United States. doi:https://doi.org/10.17188/1726969. https://www.osti.gov/servlets/purl/1726969. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1726969,
title = {Materials Data on ZrAlFe4 by Materials Project},
abstractNote = {ZrFe4Al is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to twelve equivalent Fe and four equivalent Al atoms. All Zr–Fe bond lengths are 2.81 Å. All Zr–Al bond lengths are 2.93 Å. Fe is bonded to three equivalent Zr, six equivalent Fe, and three equivalent Al atoms to form a mixture of corner, edge, and face-sharing FeZr3Al3Fe6 cuboctahedra. There are three shorter (2.37 Å) and three longer (2.41 Å) Fe–Fe bond lengths. All Fe–Al bond lengths are 2.80 Å. Al is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Fe atoms.},
doi = {10.17188/1726969},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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