U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SmFe12 by Materials Project
Abstract
SmFe12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded to sixteen Fe atoms to form distorted face-sharing SmFe16 cuboctahedra. There are a spread of Sm–Fe bond distances ranging from 2.87–3.29 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a 6-coordinate geometry to two equivalent Sm and twelve Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.45–3.04 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to one Sm and eleven Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.39–2.77 Å. In the third Fe site, Fe is bonded in a 7-coordinate geometry to one Sm and ten Fe atoms. Both Fe–Fe bond lengths are 2.26 Å.
- Publication Date:
- Other Number(s):
- mp-985581
- 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-Sm; SmFe12; crystal structure
- OSTI Identifier:
- 1316701
- DOI:
- https://doi.org/10.17188/1316701
Citation Formats
Materials Data on SmFe12 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1316701.
Materials Data on SmFe12 by Materials Project. United States. doi:https://doi.org/10.17188/1316701
2020.
"Materials Data on SmFe12 by Materials Project". United States. doi:https://doi.org/10.17188/1316701. https://www.osti.gov/servlets/purl/1316701. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1316701,
title = {Materials Data on SmFe12 by Materials Project},
abstractNote = {SmFe12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded to sixteen Fe atoms to form distorted face-sharing SmFe16 cuboctahedra. There are a spread of Sm–Fe bond distances ranging from 2.87–3.29 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a 6-coordinate geometry to two equivalent Sm and twelve Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.45–3.04 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to one Sm and eleven Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.39–2.77 Å. In the third Fe site, Fe is bonded in a 7-coordinate geometry to one Sm and ten Fe atoms. Both Fe–Fe bond lengths are 2.26 Å.},
doi = {10.17188/1316701},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}