U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiVO2 by Materials Project
Abstract
LiVO2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with six equivalent VO6 octahedra, edges with six equivalent LiO6 octahedra, and edges with six equivalent VO6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are two shorter (2.13 Å) and four longer (2.17 Å) Li–O bond lengths. V3+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent LiO6 octahedra, edges with six equivalent LiO6 octahedra, and edges with six equivalent VO6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are two shorter (2.04 Å) and four longer (2.06 Å) V–O bond lengths. O2- is bonded to three equivalent Li1+ and three equivalent V3+ atoms to form a mixture of edge and corner-sharing OLi3V3 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-1176523
- 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; Li-O-V; LiVO2
- OSTI Identifier:
- 1721841
- DOI:
- https://doi.org/10.17188/1721841
Citation Formats
Materials Data on LiVO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1721841.
Materials Data on LiVO2 by Materials Project. United States. doi:https://doi.org/10.17188/1721841
2020.
"Materials Data on LiVO2 by Materials Project". United States. doi:https://doi.org/10.17188/1721841. https://www.osti.gov/servlets/purl/1721841. Pub date:Sat May 02 20:00:00 EDT 2020
@article{osti_1721841,
title = {Materials Data on LiVO2 by Materials Project},
abstractNote = {LiVO2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with six equivalent VO6 octahedra, edges with six equivalent LiO6 octahedra, and edges with six equivalent VO6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are two shorter (2.13 Å) and four longer (2.17 Å) Li–O bond lengths. V3+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent LiO6 octahedra, edges with six equivalent LiO6 octahedra, and edges with six equivalent VO6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are two shorter (2.04 Å) and four longer (2.06 Å) V–O bond lengths. O2- is bonded to three equivalent Li1+ and three equivalent V3+ atoms to form a mixture of edge and corner-sharing OLi3V3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1721841},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}