U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Th(FeP3)4 by Materials Project
Abstract
ThFe4P12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Th4+ is bonded to twelve equivalent P1- atoms to form ThP12 cuboctahedra that share faces with eight equivalent FeP6 octahedra. All Th–P bond lengths are 2.99 Å. Fe2+ is bonded to six equivalent P1- atoms to form FeP6 octahedra that share corners with six equivalent FeP6 octahedra and faces with two equivalent ThP12 cuboctahedra. The corner-sharing octahedral tilt angles are 59°. All Fe–P bond lengths are 2.24 Å. P1- is bonded in a distorted bent 120 degrees geometry to one Th4+, two equivalent Fe2+, and two equivalent P1- atoms. There are one shorter (2.32 Å) and one longer (2.38 Å) P–P bond lengths.
- Publication Date:
- Other Number(s):
- mp-9619
- 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-P-Th; Th(FeP3)4; crystal structure
- OSTI Identifier:
- 1313456
- DOI:
- https://doi.org/10.17188/1313456
Citation Formats
Materials Data on Th(FeP3)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1313456.
Materials Data on Th(FeP3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1313456
2020.
"Materials Data on Th(FeP3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1313456. https://www.osti.gov/servlets/purl/1313456. Pub date:Tue Jul 14 04:00:00 UTC 2020
@article{osti_1313456,
title = {Materials Data on Th(FeP3)4 by Materials Project},
abstractNote = {ThFe4P12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Th4+ is bonded to twelve equivalent P1- atoms to form ThP12 cuboctahedra that share faces with eight equivalent FeP6 octahedra. All Th–P bond lengths are 2.99 Å. Fe2+ is bonded to six equivalent P1- atoms to form FeP6 octahedra that share corners with six equivalent FeP6 octahedra and faces with two equivalent ThP12 cuboctahedra. The corner-sharing octahedral tilt angles are 59°. All Fe–P bond lengths are 2.24 Å. P1- is bonded in a distorted bent 120 degrees geometry to one Th4+, two equivalent Fe2+, and two equivalent P1- atoms. There are one shorter (2.32 Å) and one longer (2.38 Å) P–P bond lengths.},
doi = {10.17188/1313456},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 04:00:00 UTC 2020},
month = {Tue Jul 14 04:00:00 UTC 2020}
}
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