U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiVOF3 by Materials Project
Abstract
LiVOF3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four F1- atoms. All Li–F bond lengths are 1.96 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four F1- atoms. There is two shorter (1.97 Å) and two longer (2.00 Å) Li–F bond length. 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 39–42°. There is one shorter (1.70 Å) and one longer (2.01 Å) V–O bond length. There are a spread of V–F bond distances ranging from 1.95–2.03 Å. O2- is bonded in a distorted bent 150 degrees geometry to two equivalent V4+ atoms. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to two Li1+ and one V4+ atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two Li1+ and one V4+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to twomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-764721
- 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:
- 1295234
- DOI:
- https://doi.org/10.17188/1295234
Citation Formats
The Materials Project. Materials Data on LiVOF3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1295234.
The Materials Project. Materials Data on LiVOF3 by Materials Project. United States. doi:https://doi.org/10.17188/1295234
The Materials Project. 2020.
"Materials Data on LiVOF3 by Materials Project". United States. doi:https://doi.org/10.17188/1295234. https://www.osti.gov/servlets/purl/1295234. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1295234,
title = {Materials Data on LiVOF3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiVOF3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four F1- atoms. All Li–F bond lengths are 1.96 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four F1- atoms. There is two shorter (1.97 Å) and two longer (2.00 Å) Li–F bond length. 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 39–42°. There is one shorter (1.70 Å) and one longer (2.01 Å) V–O bond length. There are a spread of V–F bond distances ranging from 1.95–2.03 Å. O2- is bonded in a distorted bent 150 degrees geometry to two equivalent V4+ atoms. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to two Li1+ and one V4+ atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two Li1+ and one V4+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent V4+ atoms.},
doi = {10.17188/1295234},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}