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Title: Materials Data on V3OF7 by Materials Project

Abstract

V3OF7 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. 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 3–32°. There are a spread of V–F bond distances ranging from 1.96–2.01 Å. In the second V3+ site, V3+ is bonded to one O2- and five F1- atoms to form distorted VOF5 octahedra that share corners with five VF6 octahedra and edges with two equivalent VOF5 octahedra. The corner-sharing octahedra tilt angles range from 27–32°. The V–O bond length is 1.81 Å. There are a spread of V–F bond distances ranging from 1.99–2.17 Å. O2- is bonded in a bent 150 degrees geometry to two equivalent V3+ atoms. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent V3+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two V3+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two V3+ atoms. In the fourth F1- site, F1- is bonded in a distortedmore » T-shaped geometry to three equivalent V3+ atoms.« less

Publication Date:
Other Number(s):
mp-1101183
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; V3OF7; F-O-V
OSTI Identifier:
1662478
DOI:
https://doi.org/10.17188/1662478

Citation Formats

The Materials Project. Materials Data on V3OF7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1662478.
The Materials Project. Materials Data on V3OF7 by Materials Project. United States. doi:https://doi.org/10.17188/1662478
The Materials Project. 2020. "Materials Data on V3OF7 by Materials Project". United States. doi:https://doi.org/10.17188/1662478. https://www.osti.gov/servlets/purl/1662478. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1662478,
title = {Materials Data on V3OF7 by Materials Project},
author = {The Materials Project},
abstractNote = {V3OF7 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. 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 3–32°. There are a spread of V–F bond distances ranging from 1.96–2.01 Å. In the second V3+ site, V3+ is bonded to one O2- and five F1- atoms to form distorted VOF5 octahedra that share corners with five VF6 octahedra and edges with two equivalent VOF5 octahedra. The corner-sharing octahedra tilt angles range from 27–32°. The V–O bond length is 1.81 Å. There are a spread of V–F bond distances ranging from 1.99–2.17 Å. O2- is bonded in a bent 150 degrees geometry to two equivalent V3+ atoms. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent V3+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two V3+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two V3+ atoms. In the fourth F1- site, F1- is bonded in a distorted T-shaped geometry to three equivalent V3+ atoms.},
doi = {10.17188/1662478},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}