U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on HfZrFe4 by Materials Project
Abstract
HfZrFe4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Fe atoms. All Hf–Zr bond lengths are 3.04 Å. All Hf–Fe bond lengths are 2.91 Å. Zr is bonded in a 12-coordinate geometry to four equivalent Hf and twelve equivalent Fe atoms. All Zr–Fe bond lengths are 2.91 Å. Fe is bonded to three equivalent Hf, three equivalent Zr, and six equivalent Fe atoms to form a mixture of face, edge, and corner-sharing FeHf3Zr3Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.48 Å.
- Publication Date:
- Other Number(s):
- mp-1224188
- 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; Fe-Hf-Zr; HfZrFe4; crystal structure
- OSTI Identifier:
- 1687997
- DOI:
- https://doi.org/10.17188/1687997
Citation Formats
Materials Data on HfZrFe4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1687997.
Materials Data on HfZrFe4 by Materials Project. United States. doi:https://doi.org/10.17188/1687997
2020.
"Materials Data on HfZrFe4 by Materials Project". United States. doi:https://doi.org/10.17188/1687997. https://www.osti.gov/servlets/purl/1687997. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1687997,
title = {Materials Data on HfZrFe4 by Materials Project},
abstractNote = {HfZrFe4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Fe atoms. All Hf–Zr bond lengths are 3.04 Å. All Hf–Fe bond lengths are 2.91 Å. Zr is bonded in a 12-coordinate geometry to four equivalent Hf and twelve equivalent Fe atoms. All Zr–Fe bond lengths are 2.91 Å. Fe is bonded to three equivalent Hf, three equivalent Zr, and six equivalent Fe atoms to form a mixture of face, edge, and corner-sharing FeHf3Zr3Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.48 Å.},
doi = {10.17188/1687997},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}
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