U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiVF4 by Materials Project
Abstract
LiVF4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form distorted LiF6 octahedra that share corners with four equivalent LiF6 octahedra, corners with four VF6 octahedra, and edges with two VF6 octahedra. The corner-sharing octahedra tilt angles range from 49–52°. There are a spread of Li–F bond distances ranging from 1.95–2.47 Å. There are two inequivalent V3+ sites. In the first V3+ site, V3+ is bonded to six F1- atoms to form VF6 octahedra that share corners with four equivalent LiF6 octahedra, edges with two equivalent LiF6 octahedra, and edges with two equivalent VF6 octahedra. The corner-sharing octahedra tilt angles range from 49–51°. There are a spread of V–F bond distances ranging from 1.90–2.05 Å. In the second V3+ site, V3+ is bonded to six F1- atoms to form VF6 octahedra that share corners with four equivalent LiF6 octahedra, edges with two equivalent LiF6 octahedra, and edges with two equivalent VF6 octahedra. The corner-sharing octahedra tilt angles range from 51–52°. There are a spread of V–F bond distances ranging from 1.90–2.07 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinatemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-767699
- 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; LiVF4; F-Li-V
- OSTI Identifier:
- 1297808
- DOI:
- https://doi.org/10.17188/1297808
Citation Formats
The Materials Project. Materials Data on LiVF4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1297808.
The Materials Project. Materials Data on LiVF4 by Materials Project. United States. doi:https://doi.org/10.17188/1297808
The Materials Project. 2020.
"Materials Data on LiVF4 by Materials Project". United States. doi:https://doi.org/10.17188/1297808. https://www.osti.gov/servlets/purl/1297808. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1297808,
title = {Materials Data on LiVF4 by Materials Project},
author = {The Materials Project},
abstractNote = {LiVF4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form distorted LiF6 octahedra that share corners with four equivalent LiF6 octahedra, corners with four VF6 octahedra, and edges with two VF6 octahedra. The corner-sharing octahedra tilt angles range from 49–52°. There are a spread of Li–F bond distances ranging from 1.95–2.47 Å. There are two inequivalent V3+ sites. In the first V3+ site, V3+ is bonded to six F1- atoms to form VF6 octahedra that share corners with four equivalent LiF6 octahedra, edges with two equivalent LiF6 octahedra, and edges with two equivalent VF6 octahedra. The corner-sharing octahedra tilt angles range from 49–51°. There are a spread of V–F bond distances ranging from 1.90–2.05 Å. In the second V3+ site, V3+ is bonded to six F1- atoms to form VF6 octahedra that share corners with four equivalent LiF6 octahedra, edges with two equivalent LiF6 octahedra, and edges with two equivalent VF6 octahedra. The corner-sharing octahedra tilt angles range from 51–52°. There are a spread of V–F bond distances ranging from 1.90–2.07 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one V3+ atom. In the second F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one V3+ atom. In the third F1- site, F1- is bonded in a trigonal non-coplanar geometry to one Li1+ and two V3+ atoms. In the fourth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two V3+ atoms.},
doi = {10.17188/1297808},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}