U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiVS2 by Materials Project
Abstract
LiVS2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent S2- atoms to form LiS6 octahedra that share corners with twelve equivalent VS6 octahedra, edges with six equivalent LiS6 octahedra, and faces with two equivalent VS6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Li–S bond lengths are 2.59 Å. V3+ is bonded to six equivalent S2- atoms to form VS6 octahedra that share corners with twelve equivalent LiS6 octahedra, edges with six equivalent VS6 octahedra, and faces with two equivalent LiS6 octahedra. The corner-sharing octahedral tilt angles are 47°. All V–S bond lengths are 2.44 Å. S2- is bonded to three equivalent Li1+ and three equivalent V3+ atoms to form a mixture of distorted edge and corner-sharing SLi3V3 pentagonal pyramids.
- Publication Date:
- Other Number(s):
- mp-7543
- 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-S-V; LiVS2; crystal structure
- OSTI Identifier:
- 1289331
- DOI:
- https://doi.org/10.17188/1289331
Citation Formats
Materials Data on LiVS2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1289331.
Materials Data on LiVS2 by Materials Project. United States. doi:https://doi.org/10.17188/1289331
2020.
"Materials Data on LiVS2 by Materials Project". United States. doi:https://doi.org/10.17188/1289331. https://www.osti.gov/servlets/purl/1289331. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1289331,
title = {Materials Data on LiVS2 by Materials Project},
abstractNote = {LiVS2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent S2- atoms to form LiS6 octahedra that share corners with twelve equivalent VS6 octahedra, edges with six equivalent LiS6 octahedra, and faces with two equivalent VS6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Li–S bond lengths are 2.59 Å. V3+ is bonded to six equivalent S2- atoms to form VS6 octahedra that share corners with twelve equivalent LiS6 octahedra, edges with six equivalent VS6 octahedra, and faces with two equivalent LiS6 octahedra. The corner-sharing octahedral tilt angles are 47°. All V–S bond lengths are 2.44 Å. S2- is bonded to three equivalent Li1+ and three equivalent V3+ atoms to form a mixture of distorted edge and corner-sharing SLi3V3 pentagonal pyramids.},
doi = {10.17188/1289331},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}