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Title: Materials Data on Li3VF6 by Materials Project

Abstract

Li3VF6 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Li–F bond distances ranging from 1.95–2.28 Å. There are two inequivalent V3+ sites. In the first V3+ site, V3+ is bonded in an octahedral geometry to six equivalent F1- atoms. All V–F bond lengths are 1.97 Å. In the second V3+ site, V3+ is bonded in an octahedral geometry to six equivalent F1- atoms. All V–F bond lengths are 1.97 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to three equivalent Li1+ and one V3+ atom to form a mixture of distorted edge and corner-sharing FLi3V trigonal pyramids. In the second F1- site, F1- is bonded in a distorted see-saw-like geometry to three equivalent Li1+ and one V3+ atom.

Publication Date:
Other Number(s):
mp-777528
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Li3VF6; F-Li-V
OSTI Identifier:
1305156
DOI:
10.17188/1305156

Citation Formats

The Materials Project. Materials Data on Li3VF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1305156.
The Materials Project. Materials Data on Li3VF6 by Materials Project. United States. doi:10.17188/1305156.
The Materials Project. 2020. "Materials Data on Li3VF6 by Materials Project". United States. doi:10.17188/1305156. https://www.osti.gov/servlets/purl/1305156. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1305156,
title = {Materials Data on Li3VF6 by Materials Project},
author = {The Materials Project},
abstractNote = {Li3VF6 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Li–F bond distances ranging from 1.95–2.28 Å. There are two inequivalent V3+ sites. In the first V3+ site, V3+ is bonded in an octahedral geometry to six equivalent F1- atoms. All V–F bond lengths are 1.97 Å. In the second V3+ site, V3+ is bonded in an octahedral geometry to six equivalent F1- atoms. All V–F bond lengths are 1.97 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to three equivalent Li1+ and one V3+ atom to form a mixture of distorted edge and corner-sharing FLi3V trigonal pyramids. In the second F1- site, F1- is bonded in a distorted see-saw-like geometry to three equivalent Li1+ and one V3+ atom.},
doi = {10.17188/1305156},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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