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Title: Materials Data on LiV2F5 by Materials Project

Abstract

LiV2F5 crystallizes in the orthorhombic Cmcm 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 1.89–2.48 Å. V2+ is bonded to six F1- atoms to form a mixture of edge and corner-sharing VF6 octahedra. The corner-sharing octahedra tilt angles range from 20–51°. There are a spread of V–F bond distances ranging from 2.10–2.21 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a rectangular see-saw-like geometry to one Li1+ and three equivalent V2+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent V2+ atoms. In the third F1- site, F1- is bonded to two equivalent Li1+ and two equivalent V2+ atoms to form distorted corner-sharing FLi2V2 trigonal pyramids.

Publication Date:
Other Number(s):
mp-765440
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; LiV2F5; F-Li-V
OSTI Identifier:
1296045
DOI:
10.17188/1296045

Citation Formats

The Materials Project. Materials Data on LiV2F5 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1296045.
The Materials Project. Materials Data on LiV2F5 by Materials Project. United States. doi:10.17188/1296045.
The Materials Project. 2017. "Materials Data on LiV2F5 by Materials Project". United States. doi:10.17188/1296045. https://www.osti.gov/servlets/purl/1296045. Pub date:Fri Jul 21 00:00:00 EDT 2017
@article{osti_1296045,
title = {Materials Data on LiV2F5 by Materials Project},
author = {The Materials Project},
abstractNote = {LiV2F5 crystallizes in the orthorhombic Cmcm 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 1.89–2.48 Å. V2+ is bonded to six F1- atoms to form a mixture of edge and corner-sharing VF6 octahedra. The corner-sharing octahedra tilt angles range from 20–51°. There are a spread of V–F bond distances ranging from 2.10–2.21 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a rectangular see-saw-like geometry to one Li1+ and three equivalent V2+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent V2+ atoms. In the third F1- site, F1- is bonded to two equivalent Li1+ and two equivalent V2+ atoms to form distorted corner-sharing FLi2V2 trigonal pyramids.},
doi = {10.17188/1296045},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}

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