U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiV2F5 by Materials Project
Abstract
LiV2F5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Li–F bond distances ranging from 1.89–2.48 Å. V2+ is bonded to six F1- atoms to form a mixture of edge and corner-sharing VF6 octahedra. The corner-sharing octahedra tilt angles range from 20–51°. There are a spread of V–F bond distances ranging from 2.10–2.21 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a rectangular see-saw-like geometry to one Li1+ and three equivalent V2+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent V2+ atoms. In the third F1- site, F1- is bonded to two equivalent Li1+ and two equivalent V2+ atoms to form distorted corner-sharing FLi2V2 trigonal pyramids.
- Publication Date:
- Other Number(s):
- mp-765440
- 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; F-Li-V; LiV2F5; crystal structure
- OSTI Identifier:
- 1296045
- DOI:
- https://doi.org/10.17188/1296045
Citation Formats
Materials Data on LiV2F5 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1296045.
Materials Data on LiV2F5 by Materials Project. United States. doi:https://doi.org/10.17188/1296045
2017.
"Materials Data on LiV2F5 by Materials Project". United States. doi:https://doi.org/10.17188/1296045. https://www.osti.gov/servlets/purl/1296045. Pub date:Fri Jul 21 04:00:00 UTC 2017
@article{osti_1296045,
title = {Materials Data on LiV2F5 by Materials Project},
abstractNote = {LiV2F5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Li–F bond distances ranging from 1.89–2.48 Å. V2+ is bonded to six F1- atoms to form a mixture of edge and corner-sharing VF6 octahedra. The corner-sharing octahedra tilt angles range from 20–51°. There are a spread of V–F bond distances ranging from 2.10–2.21 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a rectangular see-saw-like geometry to one Li1+ and three equivalent V2+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent V2+ atoms. In the third F1- site, F1- is bonded to two equivalent Li1+ and two equivalent V2+ atoms to form distorted corner-sharing FLi2V2 trigonal pyramids.},
doi = {10.17188/1296045},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}