U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2VOF4 by Materials Project
Abstract
Li2VOF4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to one O2- and five F1- atoms. The Li–O bond length is 2.35 Å. There are a spread of Li–F bond distances ranging from 1.92–2.47 Å. V4+ is bonded to two equivalent O2- and four F1- atoms to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles are 45°. Both V–O bond lengths are 1.87 Å. There is two shorter (1.94 Å) and two longer (1.95 Å) V–F bond length. O2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent V4+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to three equivalent Li1+ and one V4+ atom. In the second F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Li1+ and one V4+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1177748
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Li2VOF4; F-Li-O-V
- OSTI Identifier:
- 1706899
- DOI:
- https://doi.org/10.17188/1706899
Citation Formats
The Materials Project. Materials Data on Li2VOF4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1706899.
The Materials Project. Materials Data on Li2VOF4 by Materials Project. United States. doi:https://doi.org/10.17188/1706899
The Materials Project. 2020.
"Materials Data on Li2VOF4 by Materials Project". United States. doi:https://doi.org/10.17188/1706899. https://www.osti.gov/servlets/purl/1706899. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1706899,
title = {Materials Data on Li2VOF4 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2VOF4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to one O2- and five F1- atoms. The Li–O bond length is 2.35 Å. There are a spread of Li–F bond distances ranging from 1.92–2.47 Å. V4+ is bonded to two equivalent O2- and four F1- atoms to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles are 45°. Both V–O bond lengths are 1.87 Å. There is two shorter (1.94 Å) and two longer (1.95 Å) V–F bond length. O2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent V4+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to three equivalent Li1+ and one V4+ atom. In the second F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Li1+ and one V4+ atom.},
doi = {10.17188/1706899},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}