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Title: Materials Data on LiV2F7 by Materials Project

Abstract

LiV2F7 crystallizes in the monoclinic P2_1/c 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 1.97–2.29 Å. There are two inequivalent V3+ sites. In the first V3+ site, V3+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedra tilt angles range from 35–46°. There are a spread of V–F bond distances ranging from 1.92–2.03 Å. In the second V3+ site, V3+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedra tilt angles range from 33–36°. There are a spread of V–F bond distances ranging from 1.95–2.00 Å. There are seven 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 trigonal planar geometry to two equivalent Li1+ and one V3+ atom. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent V3+ atoms. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometrymore » to two V3+ atoms. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two V3+ atoms. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent V3+ atoms. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent V3+ atoms.« less

Publication Date:
Other Number(s):
mp-776726
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; LiV2F7; F-Li-V
OSTI Identifier:
1304405
DOI:
10.17188/1304405

Citation Formats

The Materials Project. Materials Data on LiV2F7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1304405.
The Materials Project. Materials Data on LiV2F7 by Materials Project. United States. doi:10.17188/1304405.
The Materials Project. 2020. "Materials Data on LiV2F7 by Materials Project". United States. doi:10.17188/1304405. https://www.osti.gov/servlets/purl/1304405. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1304405,
title = {Materials Data on LiV2F7 by Materials Project},
author = {The Materials Project},
abstractNote = {LiV2F7 crystallizes in the monoclinic P2_1/c 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 1.97–2.29 Å. There are two inequivalent V3+ sites. In the first V3+ site, V3+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedra tilt angles range from 35–46°. There are a spread of V–F bond distances ranging from 1.92–2.03 Å. In the second V3+ site, V3+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedra tilt angles range from 33–36°. There are a spread of V–F bond distances ranging from 1.95–2.00 Å. There are seven 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 trigonal planar geometry to two equivalent Li1+ and one V3+ atom. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent V3+ atoms. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to two V3+ atoms. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two V3+ atoms. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent V3+ atoms. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent V3+ atoms.},
doi = {10.17188/1304405},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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