U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiVF5 by Materials Project
Abstract
LiVF5 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Li1+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are a spread of Li–F bond distances ranging from 1.84–2.06 Å. V4+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 39°. There are a spread of V–F bond distances ranging from 1.83–2.00 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one V4+ atom. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to one Li1+ and one V4+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent V4+ atoms. In the fourth F1- site, F1- is bonded in a distorted linear geometry to one Li1+ and one V4+ atom. In the fifth F1- site, F1- is bonded in a water-like geometry to one Li1+ and one V4+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-767672
- 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; LiVF5; F-Li-V
- OSTI Identifier:
- 1297787
- DOI:
- https://doi.org/10.17188/1297787
Citation Formats
The Materials Project. Materials Data on LiVF5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1297787.
The Materials Project. Materials Data on LiVF5 by Materials Project. United States. doi:https://doi.org/10.17188/1297787
The Materials Project. 2020.
"Materials Data on LiVF5 by Materials Project". United States. doi:https://doi.org/10.17188/1297787. https://www.osti.gov/servlets/purl/1297787. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1297787,
title = {Materials Data on LiVF5 by Materials Project},
author = {The Materials Project},
abstractNote = {LiVF5 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Li1+ is bonded in a distorted rectangular see-saw-like geometry to four F1- atoms. There are a spread of Li–F bond distances ranging from 1.84–2.06 Å. V4+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 39°. There are a spread of V–F bond distances ranging from 1.83–2.00 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one V4+ atom. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to one Li1+ and one V4+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent V4+ atoms. In the fourth F1- site, F1- is bonded in a distorted linear geometry to one Li1+ and one V4+ atom. In the fifth F1- site, F1- is bonded in a water-like geometry to one Li1+ and one V4+ atom.},
doi = {10.17188/1297787},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}