U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ThFe5 by Materials Project
Abstract
ThFe5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Th is bonded in a 6-coordinate geometry to eighteen Fe atoms. There are six shorter (2.93 Å) and twelve longer (3.24 Å) Th–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to four equivalent Th and eight Fe atoms to form a mixture of edge, face, and corner-sharing FeTh4Fe8 cuboctahedra. There are four shorter (2.50 Å) and four longer (2.54 Å) Fe–Fe bond lengths. In the second Fe site, Fe is bonded to three equivalent Th and six equivalent Fe atoms to form a mixture of distorted edge, face, and corner-sharing FeTh3Fe6 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-2689
- 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-Th; ThFe5; crystal structure
- OSTI Identifier:
- 1201257
- DOI:
- https://doi.org/10.17188/1201257
Citation Formats
Materials Data on ThFe5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1201257.
Materials Data on ThFe5 by Materials Project. United States. doi:https://doi.org/10.17188/1201257
2020.
"Materials Data on ThFe5 by Materials Project". United States. doi:https://doi.org/10.17188/1201257. https://www.osti.gov/servlets/purl/1201257. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1201257,
title = {Materials Data on ThFe5 by Materials Project},
abstractNote = {ThFe5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Th is bonded in a 6-coordinate geometry to eighteen Fe atoms. There are six shorter (2.93 Å) and twelve longer (3.24 Å) Th–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to four equivalent Th and eight Fe atoms to form a mixture of edge, face, and corner-sharing FeTh4Fe8 cuboctahedra. There are four shorter (2.50 Å) and four longer (2.54 Å) Fe–Fe bond lengths. In the second Fe site, Fe is bonded to three equivalent Th and six equivalent Fe atoms to form a mixture of distorted edge, face, and corner-sharing FeTh3Fe6 cuboctahedra.},
doi = {10.17188/1201257},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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