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Title: Materials Data on LiVOF3 by Materials Project

Abstract

LiVOF3 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to one O2- and four F1- atoms. The Li–O bond length is 2.31 Å. There are a spread of Li–F bond distances ranging from 1.93–2.17 Å. V4+ is bonded to two equivalent O2- and four F1- atoms to form corner-sharing VO2F4 octahedra. The corner-sharing octahedra tilt angles range from 18–23°. There is one shorter (1.71 Å) and one longer (1.95 Å) V–O bond length. There are a spread of V–F bond distances ranging from 1.93–2.02 Å. O2- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent V4+ atoms. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one V4+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent V4+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one V4+ atom.

Publication Date:
Other Number(s):
mp-765230
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; LiVOF3; F-Li-O-V
OSTI Identifier:
1295830
DOI:
https://doi.org/10.17188/1295830

Citation Formats

The Materials Project. Materials Data on LiVOF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1295830.
The Materials Project. Materials Data on LiVOF3 by Materials Project. United States. doi:https://doi.org/10.17188/1295830
The Materials Project. 2020. "Materials Data on LiVOF3 by Materials Project". United States. doi:https://doi.org/10.17188/1295830. https://www.osti.gov/servlets/purl/1295830. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1295830,
title = {Materials Data on LiVOF3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiVOF3 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to one O2- and four F1- atoms. The Li–O bond length is 2.31 Å. There are a spread of Li–F bond distances ranging from 1.93–2.17 Å. V4+ is bonded to two equivalent O2- and four F1- atoms to form corner-sharing VO2F4 octahedra. The corner-sharing octahedra tilt angles range from 18–23°. There is one shorter (1.71 Å) and one longer (1.95 Å) V–O bond length. There are a spread of V–F bond distances ranging from 1.93–2.02 Å. O2- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent V4+ atoms. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one V4+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent V4+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one V4+ atom.},
doi = {10.17188/1295830},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}