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Title: 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 in a 4-coordinate geometry to four F1- atoms. There are a spread of Li–F bond distances ranging from 1.89–2.29 Å. V3+ is bonded to six F1- atoms to form a mixture of edge and corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are a spread of V–F bond distances ranging from 1.88–2.07 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Li1+ and one V3+ atom. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to one Li1+ and one V3+ atom. In the third F1- site, F1- is bonded in a distorted T-shaped geometry to one Li1+ and two equivalent V3+ atoms. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent V3+ atoms.

Publication Date:
Other Number(s):
mp-766861
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; LiVF4; F-Li-V
OSTI Identifier:
1297152
DOI:
10.17188/1297152

Citation Formats

The Materials Project. Materials Data on LiVF4 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1297152.
The Materials Project. Materials Data on LiVF4 by Materials Project. United States. doi:10.17188/1297152.
The Materials Project. 2017. "Materials Data on LiVF4 by Materials Project". United States. doi:10.17188/1297152. https://www.osti.gov/servlets/purl/1297152. Pub date:Fri Jul 21 00:00:00 EDT 2017
@article{osti_1297152,
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 in a 4-coordinate geometry to four F1- atoms. There are a spread of Li–F bond distances ranging from 1.89–2.29 Å. V3+ is bonded to six F1- atoms to form a mixture of edge and corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are a spread of V–F bond distances ranging from 1.88–2.07 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Li1+ and one V3+ atom. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to one Li1+ and one V3+ atom. In the third F1- site, F1- is bonded in a distorted T-shaped geometry to one Li1+ and two equivalent V3+ atoms. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent V3+ atoms.},
doi = {10.17188/1297152},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}

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