U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiVF6 by Materials Project
Abstract
LiVF6 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two LiVF6 sheets oriented in the (0, 0, 1) direction. Li1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Li–F bond distances ranging from 2.00–2.33 Å. V5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of V–F bond distances ranging from 1.75–1.92 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li1+ and one V5+ atom. In the second F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one V5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one V5+ atom. In the fourth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li1+ and one V5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one V5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one V5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-777453
- 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; LiVF6; F-Li-V
- OSTI Identifier:
- 1305084
- DOI:
- https://doi.org/10.17188/1305084
Citation Formats
The Materials Project. Materials Data on LiVF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1305084.
The Materials Project. Materials Data on LiVF6 by Materials Project. United States. doi:https://doi.org/10.17188/1305084
The Materials Project. 2020.
"Materials Data on LiVF6 by Materials Project". United States. doi:https://doi.org/10.17188/1305084. https://www.osti.gov/servlets/purl/1305084. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1305084,
title = {Materials Data on LiVF6 by Materials Project},
author = {The Materials Project},
abstractNote = {LiVF6 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two LiVF6 sheets oriented in the (0, 0, 1) direction. Li1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Li–F bond distances ranging from 2.00–2.33 Å. V5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of V–F bond distances ranging from 1.75–1.92 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li1+ and one V5+ atom. In the second F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one V5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one V5+ atom. In the fourth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li1+ and one V5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one V5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one V5+ atom.},
doi = {10.17188/1305084},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}