U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SmFePO by Materials Project
Abstract
SmFePO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm3+ is bonded in a 4-coordinate geometry to four equivalent P3- and four equivalent O2- atoms. All Sm–P bond lengths are 3.27 Å. All Sm–O bond lengths are 2.29 Å. Fe2+ is bonded to four equivalent P3- atoms to form a mixture of corner and edge-sharing FeP4 tetrahedra. All Fe–P bond lengths are 2.38 Å. P3- is bonded in a 4-coordinate geometry to four equivalent Sm3+ and four equivalent Fe2+ atoms. O2- is bonded to four equivalent Sm3+ atoms to form a mixture of corner and edge-sharing OSm4 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-505259
- 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-O-P-Sm; SmFePO; crystal structure
- OSTI Identifier:
- 1262398
- DOI:
- https://doi.org/10.17188/1262398
Citation Formats
Materials Data on SmFePO by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1262398.
Materials Data on SmFePO by Materials Project. United States. doi:https://doi.org/10.17188/1262398
2020.
"Materials Data on SmFePO by Materials Project". United States. doi:https://doi.org/10.17188/1262398. https://www.osti.gov/servlets/purl/1262398. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1262398,
title = {Materials Data on SmFePO by Materials Project},
abstractNote = {SmFePO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm3+ is bonded in a 4-coordinate geometry to four equivalent P3- and four equivalent O2- atoms. All Sm–P bond lengths are 3.27 Å. All Sm–O bond lengths are 2.29 Å. Fe2+ is bonded to four equivalent P3- atoms to form a mixture of corner and edge-sharing FeP4 tetrahedra. All Fe–P bond lengths are 2.38 Å. P3- is bonded in a 4-coordinate geometry to four equivalent Sm3+ and four equivalent Fe2+ atoms. O2- is bonded to four equivalent Sm3+ atoms to form a mixture of corner and edge-sharing OSm4 tetrahedra.},
doi = {10.17188/1262398},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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