U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiYSe2 by Materials Project
Abstract
LiYSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent Se2- atoms to form LiSe6 octahedra that share corners with six equivalent YSe6 octahedra, edges with six equivalent LiSe6 octahedra, and edges with six equivalent YSe6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Li–Se bond lengths are 2.85 Å. Y3+ is bonded to six equivalent Se2- atoms to form YSe6 octahedra that share corners with six equivalent LiSe6 octahedra, edges with six equivalent LiSe6 octahedra, and edges with six equivalent YSe6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Y–Se bond lengths are 2.87 Å. Se2- is bonded to three equivalent Li1+ and three equivalent Y3+ atoms to form a mixture of edge and corner-sharing SeLi3Y3 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-15794
- 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; Li-Se-Y; LiYSe2; crystal structure
- OSTI Identifier:
- 1191382
- DOI:
- https://doi.org/10.17188/1191382
Citation Formats
Materials Data on LiYSe2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1191382.
Materials Data on LiYSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1191382
2020.
"Materials Data on LiYSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1191382. https://www.osti.gov/servlets/purl/1191382. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1191382,
title = {Materials Data on LiYSe2 by Materials Project},
abstractNote = {LiYSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent Se2- atoms to form LiSe6 octahedra that share corners with six equivalent YSe6 octahedra, edges with six equivalent LiSe6 octahedra, and edges with six equivalent YSe6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Li–Se bond lengths are 2.85 Å. Y3+ is bonded to six equivalent Se2- atoms to form YSe6 octahedra that share corners with six equivalent LiSe6 octahedra, edges with six equivalent LiSe6 octahedra, and edges with six equivalent YSe6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Y–Se bond lengths are 2.87 Å. Se2- is bonded to three equivalent Li1+ and three equivalent Y3+ atoms to form a mixture of edge and corner-sharing SeLi3Y3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1191382},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}