U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TbNaS2 by Materials Project
Abstract
NaTbS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent S2- atoms to form NaS6 octahedra that share corners with six equivalent TbS6 octahedra, edges with six equivalent NaS6 octahedra, and edges with six equivalent TbS6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Na–S bond lengths are 2.94 Å. Tb3+ is bonded to six equivalent S2- atoms to form TbS6 octahedra that share corners with six equivalent NaS6 octahedra, edges with six equivalent NaS6 octahedra, and edges with six equivalent TbS6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Tb–S bond lengths are 2.77 Å. S2- is bonded to three equivalent Na1+ and three equivalent Tb3+ atoms to form a mixture of edge and corner-sharing SNa3Tb3 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-999126
- 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-S-Tb; TbNaS2; crystal structure
- OSTI Identifier:
- 1317479
- DOI:
- https://doi.org/10.17188/1317479
Citation Formats
Materials Data on TbNaS2 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1317479.
Materials Data on TbNaS2 by Materials Project. United States. doi:https://doi.org/10.17188/1317479
2017.
"Materials Data on TbNaS2 by Materials Project". United States. doi:https://doi.org/10.17188/1317479. https://www.osti.gov/servlets/purl/1317479. Pub date:Tue May 09 04:00:00 UTC 2017
@article{osti_1317479,
title = {Materials Data on TbNaS2 by Materials Project},
abstractNote = {NaTbS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent S2- atoms to form NaS6 octahedra that share corners with six equivalent TbS6 octahedra, edges with six equivalent NaS6 octahedra, and edges with six equivalent TbS6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Na–S bond lengths are 2.94 Å. Tb3+ is bonded to six equivalent S2- atoms to form TbS6 octahedra that share corners with six equivalent NaS6 octahedra, edges with six equivalent NaS6 octahedra, and edges with six equivalent TbS6 octahedra. The corner-sharing octahedral tilt angles are 5°. All Tb–S bond lengths are 2.77 Å. S2- is bonded to three equivalent Na1+ and three equivalent Tb3+ atoms to form a mixture of edge and corner-sharing SNa3Tb3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1317479},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}