U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaSmSe2 by Materials Project
Abstract
NaSmSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Se2- atoms to form NaSe6 octahedra that share corners with six equivalent SmSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent SmSe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Na–Se bond lengths are 3.07 Å. Sm3+ is bonded to six equivalent Se2- atoms to form SmSe6 octahedra that share corners with six equivalent NaSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent SmSe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Sm–Se bond lengths are 2.94 Å. Se2- is bonded to three equivalent Na1+ and three equivalent Sm3+ atoms to form a mixture of edge and corner-sharing SeNa3Sm3 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-999450
- 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; Na-Se-Sm; NaSmSe2; crystal structure
- OSTI Identifier:
- 1317575
- DOI:
- https://doi.org/10.17188/1317575
Citation Formats
Materials Data on NaSmSe2 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1317575.
Materials Data on NaSmSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1317575
2017.
"Materials Data on NaSmSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1317575. https://www.osti.gov/servlets/purl/1317575. Pub date:Tue May 09 04:00:00 UTC 2017
@article{osti_1317575,
title = {Materials Data on NaSmSe2 by Materials Project},
abstractNote = {NaSmSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Se2- atoms to form NaSe6 octahedra that share corners with six equivalent SmSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent SmSe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Na–Se bond lengths are 3.07 Å. Sm3+ is bonded to six equivalent Se2- atoms to form SmSe6 octahedra that share corners with six equivalent NaSe6 octahedra, edges with six equivalent NaSe6 octahedra, and edges with six equivalent SmSe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Sm–Se bond lengths are 2.94 Å. Se2- is bonded to three equivalent Na1+ and three equivalent Sm3+ atoms to form a mixture of edge and corner-sharing SeNa3Sm3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1317575},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}