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Title: Materials Data on Li2VH2OF5 by Materials Project

Abstract

Li2VH2OF5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Li–F bond distances ranging from 1.98–2.14 Å. V3+ is bonded in an octahedral geometry to one O2- and five F1- atoms. The V–O bond length is 2.00 Å. There are a spread of V–F bond distances ranging from 1.88–2.01 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a distorted trigonal planar geometry to one V3+ and two equivalent H1+ 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 V3+ atom. In the second F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li1+ and one V3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one V3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-770536
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; Li2VH2OF5; F-H-Li-O-V
OSTI Identifier:
1299853
DOI:
https://doi.org/10.17188/1299853

Citation Formats

The Materials Project. Materials Data on Li2VH2OF5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1299853.
The Materials Project. Materials Data on Li2VH2OF5 by Materials Project. United States. doi:https://doi.org/10.17188/1299853
The Materials Project. 2020. "Materials Data on Li2VH2OF5 by Materials Project". United States. doi:https://doi.org/10.17188/1299853. https://www.osti.gov/servlets/purl/1299853. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1299853,
title = {Materials Data on Li2VH2OF5 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2VH2OF5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four F1- atoms. There are a spread of Li–F bond distances ranging from 1.98–2.14 Å. V3+ is bonded in an octahedral geometry to one O2- and five F1- atoms. The V–O bond length is 2.00 Å. There are a spread of V–F bond distances ranging from 1.88–2.01 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a distorted trigonal planar geometry to one V3+ and two equivalent H1+ 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 V3+ atom. In the second F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Li1+ and one V3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one V3+ atom.},
doi = {10.17188/1299853},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}