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Title: Materials Data on LiVF5 by Materials Project

Abstract

LiVF5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with four equivalent VF6 octahedra. The corner-sharing octahedra tilt angles range from 17–49°. There are a spread of Li–F bond distances ranging from 1.91–1.98 Å. V4+ is bonded to six F1- atoms to form VF6 octahedra that share corners with two equivalent VF6 octahedra and corners with four equivalent LiF4 tetrahedra. The corner-sharing octahedral tilt angles are 16°. There are a spread of V–F bond distances ranging from 1.85–1.93 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Li1+ and one V4+ atom. In the second F1- site, F1- is bonded in a linear geometry to one Li1+ and one V4+ atom. In the third F1- site, F1- is bonded in a linear geometry to two equivalent V4+ atoms. In the fourth F1- site, F1- is bonded in a bent 120 degrees geometry to one Li1+ and one V4+ atom.

Publication Date:
Other Number(s):
mp-766925
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; LiVF5; F-Li-V
OSTI Identifier:
1297188
DOI:
10.17188/1297188

Citation Formats

The Materials Project. Materials Data on LiVF5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1297188.
The Materials Project. Materials Data on LiVF5 by Materials Project. United States. doi:10.17188/1297188.
The Materials Project. 2020. "Materials Data on LiVF5 by Materials Project". United States. doi:10.17188/1297188. https://www.osti.gov/servlets/purl/1297188. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1297188,
title = {Materials Data on LiVF5 by Materials Project},
author = {The Materials Project},
abstractNote = {LiVF5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with four equivalent VF6 octahedra. The corner-sharing octahedra tilt angles range from 17–49°. There are a spread of Li–F bond distances ranging from 1.91–1.98 Å. V4+ is bonded to six F1- atoms to form VF6 octahedra that share corners with two equivalent VF6 octahedra and corners with four equivalent LiF4 tetrahedra. The corner-sharing octahedral tilt angles are 16°. There are a spread of V–F bond distances ranging from 1.85–1.93 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Li1+ and one V4+ atom. In the second F1- site, F1- is bonded in a linear geometry to one Li1+ and one V4+ atom. In the third F1- site, F1- is bonded in a linear geometry to two equivalent V4+ atoms. In the fourth F1- site, F1- is bonded in a bent 120 degrees geometry to one Li1+ and one V4+ atom.},
doi = {10.17188/1297188},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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