U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiVF5 by Materials Project
Abstract
LiVF5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to five F1- atoms to form distorted LiF5 trigonal bipyramids that share corners with four equivalent VF6 octahedra and an edgeedge with one VF6 octahedra. The corner-sharing octahedra tilt angles range from 13–54°. There are a spread of Li–F bond distances ranging from 1.89–2.20 Å. V4+ is bonded to six F1- atoms to form VF6 octahedra that share corners with two equivalent VF6 octahedra, corners with four equivalent LiF5 trigonal bipyramids, and an edgeedge with one LiF5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 39°. There are a spread of V–F bond distances ranging from 1.81–2.11 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to one Li1+ and one V4+ atom. In the second F1- site, F1- is bonded in a water-like geometry to one Li1+ and one V4+ atom. In the third F1- site, F1- is bonded in a distorted T-shaped geometry to one Li1+ and two equivalent V4+ atoms. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one V4+ atom.
- Publication Date:
- Other Number(s):
- mp-767609
- 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; LiVF5; crystal structure
- OSTI Identifier:
- 1297733
- DOI:
- https://doi.org/10.17188/1297733
Citation Formats
Materials Data on LiVF5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1297733.
Materials Data on LiVF5 by Materials Project. United States. doi:https://doi.org/10.17188/1297733
2020.
"Materials Data on LiVF5 by Materials Project". United States. doi:https://doi.org/10.17188/1297733. https://www.osti.gov/servlets/purl/1297733. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1297733,
title = {Materials Data on LiVF5 by Materials Project},
abstractNote = {LiVF5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to five F1- atoms to form distorted LiF5 trigonal bipyramids that share corners with four equivalent VF6 octahedra and an edgeedge with one VF6 octahedra. The corner-sharing octahedra tilt angles range from 13–54°. There are a spread of Li–F bond distances ranging from 1.89–2.20 Å. V4+ is bonded to six F1- atoms to form VF6 octahedra that share corners with two equivalent VF6 octahedra, corners with four equivalent LiF5 trigonal bipyramids, and an edgeedge with one LiF5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 39°. There are a spread of V–F bond distances ranging from 1.81–2.11 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to one Li1+ and one V4+ atom. In the second F1- site, F1- is bonded in a water-like geometry to one Li1+ and one V4+ atom. In the third F1- site, F1- is bonded in a distorted T-shaped geometry to one Li1+ and two equivalent V4+ atoms. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one V4+ atom.},
doi = {10.17188/1297733},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}