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Title: Materials Data on VH6(OF)3 by Materials Project

Abstract

VOF3(H2)3O2 is Silicon tetrafluoride-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of three hydrogen molecules, one hydrogen peroxide molecule, and one VOF3 cluster. In the VOF3 cluster, V3+ is bonded in a tetrahedral geometry to one O2- and three F1- atoms. The V–O bond length is 1.60 Å. All V–F bond lengths are 1.76 Å. O2- is bonded in a single-bond geometry to one V3+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one V3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one V3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1178817
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; VH6(OF)3; F-H-O-V
OSTI Identifier:
1717017
DOI:
https://doi.org/10.17188/1717017

Citation Formats

The Materials Project. Materials Data on VH6(OF)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1717017.
The Materials Project. Materials Data on VH6(OF)3 by Materials Project. United States. doi:https://doi.org/10.17188/1717017
The Materials Project. 2020. "Materials Data on VH6(OF)3 by Materials Project". United States. doi:https://doi.org/10.17188/1717017. https://www.osti.gov/servlets/purl/1717017. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1717017,
title = {Materials Data on VH6(OF)3 by Materials Project},
author = {The Materials Project},
abstractNote = {VOF3(H2)3O2 is Silicon tetrafluoride-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of three hydrogen molecules, one hydrogen peroxide molecule, and one VOF3 cluster. In the VOF3 cluster, V3+ is bonded in a tetrahedral geometry to one O2- and three F1- atoms. The V–O bond length is 1.60 Å. All V–F bond lengths are 1.76 Å. O2- is bonded in a single-bond geometry to one V3+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one V3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one V3+ atom.},
doi = {10.17188/1717017},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}