U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on YbAgS2 by Materials Project
Abstract
YbAgS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Yb3+ is bonded to six equivalent S2- atoms to form YbS6 octahedra that share corners with six equivalent AgS6 octahedra, edges with six equivalent YbS6 octahedra, and edges with six equivalent AgS6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Yb–S bond lengths are 2.79 Å. Ag1+ is bonded to six equivalent S2- atoms to form AgS6 octahedra that share corners with six equivalent YbS6 octahedra, edges with six equivalent YbS6 octahedra, and edges with six equivalent AgS6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Ag–S bond lengths are 2.72 Å. S2- is bonded to three equivalent Yb3+ and three equivalent Ag1+ atoms to form a mixture of corner and edge-sharing SYb3Ag3 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-1215482
- 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; Ag-S-Yb; YbAgS2; crystal structure
- OSTI Identifier:
- 1738171
- DOI:
- https://doi.org/10.17188/1738171
Citation Formats
Materials Data on YbAgS2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1738171.
Materials Data on YbAgS2 by Materials Project. United States. doi:https://doi.org/10.17188/1738171
2020.
"Materials Data on YbAgS2 by Materials Project". United States. doi:https://doi.org/10.17188/1738171. https://www.osti.gov/servlets/purl/1738171. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1738171,
title = {Materials Data on YbAgS2 by Materials Project},
abstractNote = {YbAgS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Yb3+ is bonded to six equivalent S2- atoms to form YbS6 octahedra that share corners with six equivalent AgS6 octahedra, edges with six equivalent YbS6 octahedra, and edges with six equivalent AgS6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Yb–S bond lengths are 2.79 Å. Ag1+ is bonded to six equivalent S2- atoms to form AgS6 octahedra that share corners with six equivalent YbS6 octahedra, edges with six equivalent YbS6 octahedra, and edges with six equivalent AgS6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Ag–S bond lengths are 2.72 Å. S2- is bonded to three equivalent Yb3+ and three equivalent Ag1+ atoms to form a mixture of corner and edge-sharing SYb3Ag3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1738171},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}