U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on YZrFe4 by Materials Project
Abstract
YZrFe4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Fe atoms. All Y–Zr bond lengths are 3.12 Å. All Y–Fe bond lengths are 2.99 Å. Zr is bonded in a 12-coordinate geometry to four equivalent Y and twelve equivalent Fe atoms. All Zr–Fe bond lengths are 2.98 Å. Fe is bonded to three equivalent Y, three equivalent Zr, and six equivalent Fe atoms to form a mixture of face, edge, and corner-sharing FeY3Zr3Fe6 cuboctahedra. There are three shorter (2.54 Å) and three longer (2.55 Å) Fe–Fe bond lengths.
- Publication Date:
- Other Number(s):
- mp-1215709
- 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-Y-Zr; YZrFe4; crystal structure
- OSTI Identifier:
- 1758473
- DOI:
- https://doi.org/10.17188/1758473
Citation Formats
Materials Data on YZrFe4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1758473.
Materials Data on YZrFe4 by Materials Project. United States. doi:https://doi.org/10.17188/1758473
2020.
"Materials Data on YZrFe4 by Materials Project". United States. doi:https://doi.org/10.17188/1758473. https://www.osti.gov/servlets/purl/1758473. Pub date:Thu Sep 03 04:00:00 UTC 2020
@article{osti_1758473,
title = {Materials Data on YZrFe4 by Materials Project},
abstractNote = {YZrFe4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Fe atoms. All Y–Zr bond lengths are 3.12 Å. All Y–Fe bond lengths are 2.99 Å. Zr is bonded in a 12-coordinate geometry to four equivalent Y and twelve equivalent Fe atoms. All Zr–Fe bond lengths are 2.98 Å. Fe is bonded to three equivalent Y, three equivalent Zr, and six equivalent Fe atoms to form a mixture of face, edge, and corner-sharing FeY3Zr3Fe6 cuboctahedra. There are three shorter (2.54 Å) and three longer (2.55 Å) Fe–Fe bond lengths.},
doi = {10.17188/1758473},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}
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