U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiVOF3 by Materials Project
Abstract
LiVOF3 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to one O2- and four F1- atoms. The Li–O bond length is 2.31 Å. There are a spread of Li–F bond distances ranging from 1.93–2.17 Å. V4+ is bonded to two equivalent O2- and four F1- atoms to form corner-sharing VO2F4 octahedra. The corner-sharing octahedra tilt angles range from 18–23°. There is one shorter (1.71 Å) and one longer (1.95 Å) V–O bond length. There are a spread of V–F bond distances ranging from 1.93–2.02 Å. O2- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent V4+ atoms. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one V4+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent V4+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one V4+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-765230
- 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; LiVOF3; F-Li-O-V
- OSTI Identifier:
- 1295830
- DOI:
- https://doi.org/10.17188/1295830
Citation Formats
The Materials Project. Materials Data on LiVOF3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1295830.
The Materials Project. Materials Data on LiVOF3 by Materials Project. United States. doi:https://doi.org/10.17188/1295830
The Materials Project. 2020.
"Materials Data on LiVOF3 by Materials Project". United States. doi:https://doi.org/10.17188/1295830. https://www.osti.gov/servlets/purl/1295830. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1295830,
title = {Materials Data on LiVOF3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiVOF3 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to one O2- and four F1- atoms. The Li–O bond length is 2.31 Å. There are a spread of Li–F bond distances ranging from 1.93–2.17 Å. V4+ is bonded to two equivalent O2- and four F1- atoms to form corner-sharing VO2F4 octahedra. The corner-sharing octahedra tilt angles range from 18–23°. There is one shorter (1.71 Å) and one longer (1.95 Å) V–O bond length. There are a spread of V–F bond distances ranging from 1.93–2.02 Å. O2- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent V4+ atoms. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one V4+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent V4+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one V4+ atom.},
doi = {10.17188/1295830},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}