U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SmTa3 by Materials Project
Abstract
SmTa3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a distorted body-centered cubic geometry to fourteen Ta atoms. There are eight shorter (2.99 Å) and six longer (3.46 Å) Sm–Ta bond lengths. There are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a distorted body-centered cubic geometry to four equivalent Sm and four equivalent Ta atoms. All Ta–Ta bond lengths are 2.99 Å. In the second Ta site, Ta is bonded in a 8-coordinate geometry to six equivalent Sm and eight equivalent Ta atoms.
- Publication Date:
- Other Number(s):
- mp-972514
- 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; Sm-Ta; SmTa3; crystal structure
- OSTI Identifier:
- 1313861
- DOI:
- https://doi.org/10.17188/1313861
Citation Formats
Materials Data on SmTa3 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1313861.
Materials Data on SmTa3 by Materials Project. United States. doi:https://doi.org/10.17188/1313861
2017.
"Materials Data on SmTa3 by Materials Project". United States. doi:https://doi.org/10.17188/1313861. https://www.osti.gov/servlets/purl/1313861. Pub date:Thu May 11 00:00:00 EDT 2017
@article{osti_1313861,
title = {Materials Data on SmTa3 by Materials Project},
abstractNote = {SmTa3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a distorted body-centered cubic geometry to fourteen Ta atoms. There are eight shorter (2.99 Å) and six longer (3.46 Å) Sm–Ta bond lengths. There are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a distorted body-centered cubic geometry to four equivalent Sm and four equivalent Ta atoms. All Ta–Ta bond lengths are 2.99 Å. In the second Ta site, Ta is bonded in a 8-coordinate geometry to six equivalent Sm and eight equivalent Ta atoms.},
doi = {10.17188/1313861},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}
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