U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ta2FeB2 by Materials Project
Abstract
Ta2FeB2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ta is bonded in a 6-coordinate geometry to four equivalent Fe and six equivalent B atoms. All Ta–Fe bond lengths are 2.71 Å. There are two shorter (2.38 Å) and four longer (2.43 Å) Ta–B bond lengths. Fe is bonded to eight equivalent Ta and four equivalent B atoms to form a mixture of distorted corner and face-sharing FeTa8B4 cuboctahedra. All Fe–B bond lengths are 2.30 Å. B is bonded in a 9-coordinate geometry to six equivalent Ta, two equivalent Fe, and one B atom. The B–B bond length is 1.87 Å.
- Publication Date:
- Other Number(s):
- mp-1095076
- 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; B-Fe-Ta; Ta2FeB2; crystal structure
- OSTI Identifier:
- 1680908
- DOI:
- https://doi.org/10.17188/1680908
Citation Formats
Materials Data on Ta2FeB2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1680908.
Materials Data on Ta2FeB2 by Materials Project. United States. doi:https://doi.org/10.17188/1680908
2020.
"Materials Data on Ta2FeB2 by Materials Project". United States. doi:https://doi.org/10.17188/1680908. https://www.osti.gov/servlets/purl/1680908. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1680908,
title = {Materials Data on Ta2FeB2 by Materials Project},
abstractNote = {Ta2FeB2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ta is bonded in a 6-coordinate geometry to four equivalent Fe and six equivalent B atoms. All Ta–Fe bond lengths are 2.71 Å. There are two shorter (2.38 Å) and four longer (2.43 Å) Ta–B bond lengths. Fe is bonded to eight equivalent Ta and four equivalent B atoms to form a mixture of distorted corner and face-sharing FeTa8B4 cuboctahedra. All Fe–B bond lengths are 2.30 Å. B is bonded in a 9-coordinate geometry to six equivalent Ta, two equivalent Fe, and one B atom. The B–B bond length is 1.87 Å.},
doi = {10.17188/1680908},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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