U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaNdS2 by Materials Project
Abstract
NaNdS2 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 NdS6 octahedra, edges with six equivalent NaS6 octahedra, and edges with six equivalent NdS6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Na–S bond lengths are 2.98 Å. Nd3+ is bonded to six equivalent S2- atoms to form NdS6 octahedra that share corners with six equivalent NaS6 octahedra, edges with six equivalent NaS6 octahedra, and edges with six equivalent NdS6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Nd–S bond lengths are 2.86 Å. S2- is bonded to three equivalent Na1+ and three equivalent Nd3+ atoms to form a mixture of edge and corner-sharing SNa3Nd3 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-999470
- 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-Nd-S; NaNdS2; crystal structure
- OSTI Identifier:
- 1317581
- DOI:
- https://doi.org/10.17188/1317581
Citation Formats
Materials Data on NaNdS2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1317581.
Materials Data on NaNdS2 by Materials Project. United States. doi:https://doi.org/10.17188/1317581
2020.
"Materials Data on NaNdS2 by Materials Project". United States. doi:https://doi.org/10.17188/1317581. https://www.osti.gov/servlets/purl/1317581. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1317581,
title = {Materials Data on NaNdS2 by Materials Project},
abstractNote = {NaNdS2 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 NdS6 octahedra, edges with six equivalent NaS6 octahedra, and edges with six equivalent NdS6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Na–S bond lengths are 2.98 Å. Nd3+ is bonded to six equivalent S2- atoms to form NdS6 octahedra that share corners with six equivalent NaS6 octahedra, edges with six equivalent NaS6 octahedra, and edges with six equivalent NdS6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Nd–S bond lengths are 2.86 Å. S2- is bonded to three equivalent Na1+ and three equivalent Nd3+ atoms to form a mixture of edge and corner-sharing SNa3Nd3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1317581},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}