U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SmCuSeO by Materials Project
Abstract
SmCuOSe is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CuSe sheet oriented in the (0, 0, 1) direction and one SmO sheet oriented in the (0, 0, 1) direction. In the CuSe sheet, Cu1+ is bonded to four equivalent Se2- atoms to form a mixture of edge and corner-sharing CuSe4 tetrahedra. All Cu–Se bond lengths are 2.52 Å. Se2- is bonded in a 12-coordinate geometry to four equivalent Cu1+ atoms. In the SmO sheet, Sm3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Sm–O bond lengths are 2.31 Å. O2- is bonded to four equivalent Sm3+ atoms to form a mixture of edge and corner-sharing OSm4 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-9194
- 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; Cu-O-Se-Sm; SmCuSeO; crystal structure
- OSTI Identifier:
- 1313037
- DOI:
- https://doi.org/10.17188/1313037
Citation Formats
Materials Data on SmCuSeO by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1313037.
Materials Data on SmCuSeO by Materials Project. United States. doi:https://doi.org/10.17188/1313037
2020.
"Materials Data on SmCuSeO by Materials Project". United States. doi:https://doi.org/10.17188/1313037. https://www.osti.gov/servlets/purl/1313037. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1313037,
title = {Materials Data on SmCuSeO by Materials Project},
abstractNote = {SmCuOSe is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CuSe sheet oriented in the (0, 0, 1) direction and one SmO sheet oriented in the (0, 0, 1) direction. In the CuSe sheet, Cu1+ is bonded to four equivalent Se2- atoms to form a mixture of edge and corner-sharing CuSe4 tetrahedra. All Cu–Se bond lengths are 2.52 Å. Se2- is bonded in a 12-coordinate geometry to four equivalent Cu1+ atoms. In the SmO sheet, Sm3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Sm–O bond lengths are 2.31 Å. O2- is bonded to four equivalent Sm3+ atoms to form a mixture of edge and corner-sharing OSm4 tetrahedra.},
doi = {10.17188/1313037},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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