U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiHoSe2 by Materials Project
Abstract
LiHoSe2 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 HoSe6 octahedra, edges with six equivalent LiSe6 octahedra, and edges with six equivalent HoSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Se bond lengths are 2.84 Å. Ho3+ is bonded to six equivalent Se2- atoms to form HoSe6 octahedra that share corners with six equivalent LiSe6 octahedra, edges with six equivalent LiSe6 octahedra, and edges with six equivalent HoSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ho–Se bond lengths are 2.86 Å. Se2- is bonded to three equivalent Li1+ and three equivalent Ho3+ atoms to form a mixture of corner and edge-sharing SeLi3Ho3 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-15796
- 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; crystal structure; Ho-Li-Se; LiHoSe2
- OSTI Identifier:
- 1191384
- DOI:
- https://doi.org/10.17188/1191384
Citation Formats
Materials Data on LiHoSe2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1191384.
Materials Data on LiHoSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1191384
2020.
"Materials Data on LiHoSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1191384. https://www.osti.gov/servlets/purl/1191384. Pub date:Tue Jul 14 20:00:00 EDT 2020
@article{osti_1191384,
title = {Materials Data on LiHoSe2 by Materials Project},
abstractNote = {LiHoSe2 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 HoSe6 octahedra, edges with six equivalent LiSe6 octahedra, and edges with six equivalent HoSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Se bond lengths are 2.84 Å. Ho3+ is bonded to six equivalent Se2- atoms to form HoSe6 octahedra that share corners with six equivalent LiSe6 octahedra, edges with six equivalent LiSe6 octahedra, and edges with six equivalent HoSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ho–Se bond lengths are 2.86 Å. Se2- is bonded to three equivalent Li1+ and three equivalent Ho3+ atoms to form a mixture of corner and edge-sharing SeLi3Ho3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1191384},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}