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Title: Materials Data on LiV(OF)2 by Materials Project

Abstract

LiV(OF)2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Li1+ is bonded to one O2- and five F1- atoms to form edge-sharing LiOF5 octahedra. The Li–O bond length is 2.09 Å. There are a spread of Li–F bond distances ranging from 2.07–2.37 Å. V5+ is bonded in a 5-coordinate geometry to three O2- and two F1- atoms. There are a spread of V–O bond distances ranging from 1.62–1.86 Å. There is one shorter (1.90 Å) and one longer (1.94 Å) V–F bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent V5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one V5+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Li1+ and one V5+ atom. In the second F1- site, F1- is bonded in a 4-coordinate geometry to three equivalent Li1+ and one V5+ atom.

Publication Date:
Other Number(s):
mp-772395
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; LiV(OF)2; F-Li-O-V
OSTI Identifier:
1301243
DOI:
10.17188/1301243

Citation Formats

The Materials Project. Materials Data on LiV(OF)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1301243.
The Materials Project. Materials Data on LiV(OF)2 by Materials Project. United States. doi:10.17188/1301243.
The Materials Project. 2020. "Materials Data on LiV(OF)2 by Materials Project". United States. doi:10.17188/1301243. https://www.osti.gov/servlets/purl/1301243. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1301243,
title = {Materials Data on LiV(OF)2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiV(OF)2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Li1+ is bonded to one O2- and five F1- atoms to form edge-sharing LiOF5 octahedra. The Li–O bond length is 2.09 Å. There are a spread of Li–F bond distances ranging from 2.07–2.37 Å. V5+ is bonded in a 5-coordinate geometry to three O2- and two F1- atoms. There are a spread of V–O bond distances ranging from 1.62–1.86 Å. There is one shorter (1.90 Å) and one longer (1.94 Å) V–F bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent V5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one V5+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Li1+ and one V5+ atom. In the second F1- site, F1- is bonded in a 4-coordinate geometry to three equivalent Li1+ and one V5+ atom.},
doi = {10.17188/1301243},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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