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Title: Materials Data on VOF3 by Materials Project

Abstract

VOF3 crystallizes in the tetragonal P-42_1m space group. The structure is one-dimensional and consists of two VOF3 ribbons oriented in the (0, 0, 1) direction. V5+ is bonded in a 6-coordinate geometry to two equivalent O2- and four F1- atoms. There are one shorter (1.62 Å) and one longer (2.41 Å) V–O bond lengths. There is two shorter (1.75 Å) and two longer (1.99 Å) V–F bond length. O2- is bonded in a distorted single-bond geometry to two equivalent V5+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a water-like geometry to two equivalent V5+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one V5+ atom.

Publication Date:
Other Number(s):
mp-764274
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; VOF3; F-O-V
OSTI Identifier:
1294669
DOI:
https://doi.org/10.17188/1294669

Citation Formats

The Materials Project. Materials Data on VOF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1294669.
The Materials Project. Materials Data on VOF3 by Materials Project. United States. doi:https://doi.org/10.17188/1294669
The Materials Project. 2020. "Materials Data on VOF3 by Materials Project". United States. doi:https://doi.org/10.17188/1294669. https://www.osti.gov/servlets/purl/1294669. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1294669,
title = {Materials Data on VOF3 by Materials Project},
author = {The Materials Project},
abstractNote = {VOF3 crystallizes in the tetragonal P-42_1m space group. The structure is one-dimensional and consists of two VOF3 ribbons oriented in the (0, 0, 1) direction. V5+ is bonded in a 6-coordinate geometry to two equivalent O2- and four F1- atoms. There are one shorter (1.62 Å) and one longer (2.41 Å) V–O bond lengths. There is two shorter (1.75 Å) and two longer (1.99 Å) V–F bond length. O2- is bonded in a distorted single-bond geometry to two equivalent V5+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a water-like geometry to two equivalent V5+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one V5+ atom.},
doi = {10.17188/1294669},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}