U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiScI3 by Materials Project
Abstract
LiScI3 crystallizes in the hexagonal P-6c2 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent I1- atoms to form LiI6 octahedra that share corners with six equivalent ScI6 octahedra, edges with three equivalent ScI6 octahedra, and faces with two equivalent LiI6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Li–I bond lengths are 3.00 Å. Sc2+ is bonded to six equivalent I1- atoms to form ScI6 octahedra that share corners with six equivalent LiI6 octahedra, edges with three equivalent LiI6 octahedra, and faces with two equivalent ScI6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Sc–I bond lengths are 2.98 Å. I1- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent Sc2+ atoms.
- Publication Date:
- Other Number(s):
- mp-28835
- 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; I-Li-Sc; LiScI3; crystal structure
- OSTI Identifier:
- 1202880
- DOI:
- https://doi.org/10.17188/1202880
Citation Formats
Materials Data on LiScI3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1202880.
Materials Data on LiScI3 by Materials Project. United States. doi:https://doi.org/10.17188/1202880
2020.
"Materials Data on LiScI3 by Materials Project". United States. doi:https://doi.org/10.17188/1202880. https://www.osti.gov/servlets/purl/1202880. Pub date:Tue May 05 04:00:00 UTC 2020
@article{osti_1202880,
title = {Materials Data on LiScI3 by Materials Project},
abstractNote = {LiScI3 crystallizes in the hexagonal P-6c2 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent I1- atoms to form LiI6 octahedra that share corners with six equivalent ScI6 octahedra, edges with three equivalent ScI6 octahedra, and faces with two equivalent LiI6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Li–I bond lengths are 3.00 Å. Sc2+ is bonded to six equivalent I1- atoms to form ScI6 octahedra that share corners with six equivalent LiI6 octahedra, edges with three equivalent LiI6 octahedra, and faces with two equivalent ScI6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Sc–I bond lengths are 2.98 Å. I1- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent Sc2+ atoms.},
doi = {10.17188/1202880},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}