skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on LiV2OF7 by Materials Project

Abstract

LiV2OF7 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of Li–F bond distances ranging from 1.93–2.34 Å. There are two inequivalent V4+ sites. In the first V4+ site, V4+ is bonded to one O2- and four F1- atoms to form corner-sharing VOF4 trigonal bipyramids. The V–O bond length is 1.81 Å. There are a spread of V–F bond distances ranging from 1.81–1.91 Å. In the second V4+ site, V4+ is bonded to one O2- and four F1- atoms to form distorted corner-sharing VOF4 trigonal bipyramids. The V–O bond length is 1.80 Å. There are a spread of V–F bond distances ranging from 1.79–2.06 Å. O2- is bonded in a bent 150 degrees geometry to two V4+ atoms. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one V4+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one V4+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+more » and one V4+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two V4+ atoms. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one V4+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one V4+ atom. In the seventh F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Li1+ and one V4+ atom.« less

Publication Date:
Other Number(s):
mp-764752
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; LiV2OF7; F-Li-O-V
OSTI Identifier:
1295263
DOI:
https://doi.org/10.17188/1295263

Citation Formats

The Materials Project. Materials Data on LiV2OF7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1295263.
The Materials Project. Materials Data on LiV2OF7 by Materials Project. United States. doi:https://doi.org/10.17188/1295263
The Materials Project. 2020. "Materials Data on LiV2OF7 by Materials Project". United States. doi:https://doi.org/10.17188/1295263. https://www.osti.gov/servlets/purl/1295263. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1295263,
title = {Materials Data on LiV2OF7 by Materials Project},
author = {The Materials Project},
abstractNote = {LiV2OF7 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of Li–F bond distances ranging from 1.93–2.34 Å. There are two inequivalent V4+ sites. In the first V4+ site, V4+ is bonded to one O2- and four F1- atoms to form corner-sharing VOF4 trigonal bipyramids. The V–O bond length is 1.81 Å. There are a spread of V–F bond distances ranging from 1.81–1.91 Å. In the second V4+ site, V4+ is bonded to one O2- and four F1- atoms to form distorted corner-sharing VOF4 trigonal bipyramids. The V–O bond length is 1.80 Å. There are a spread of V–F bond distances ranging from 1.79–2.06 Å. O2- is bonded in a bent 150 degrees geometry to two V4+ atoms. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one V4+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one V4+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one V4+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two V4+ atoms. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one V4+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one V4+ atom. In the seventh F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Li1+ and one V4+ atom.},
doi = {10.17188/1295263},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}