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Title: Materials Data on V2OF7 by Materials Project

Abstract

V2OF7 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one V2OF7 ribbon oriented in the (0, 1, 1) direction. there are two inequivalent V+4.50+ sites. In the first V+4.50+ site, V+4.50+ is bonded in a distorted octahedral geometry to one O2- and five F1- atoms. The V–O bond length is 2.30 Å. There are a spread of V–F bond distances ranging from 1.77–2.43 Å. In the second V+4.50+ site, V+4.50+ is bonded in a distorted single-bond geometry to five F1- atoms. There are a spread of V–F bond distances ranging from 1.04–2.51 Å. O2- is bonded in a 1-coordinate geometry to one V+4.50+ atom. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted water-like geometry to two V+4.50+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one V+4.50+ atom. In the third F1- site, F1- is bonded in a 1-coordinate geometry to one V+4.50+ atom. In the fourth F1- site, F1- is bonded in an L-shaped geometry to two V+4.50+ atoms. In the fifth F1- site, F1- is bonded in a single-bond geometry to one V+4.50+ atom. In the sixthmore » F1- site, F1- is bonded in a single-bond geometry to one V+4.50+ atom. In the seventh F1- site, F1- is bonded in a 2-coordinate geometry to two V+4.50+ atoms.« less

Publication Date:
Other Number(s):
mp-765500
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; V2OF7; F-O-V
OSTI Identifier:
1296082
DOI:
10.17188/1296082

Citation Formats

The Materials Project. Materials Data on V2OF7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1296082.
The Materials Project. Materials Data on V2OF7 by Materials Project. United States. doi:10.17188/1296082.
The Materials Project. 2020. "Materials Data on V2OF7 by Materials Project". United States. doi:10.17188/1296082. https://www.osti.gov/servlets/purl/1296082. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1296082,
title = {Materials Data on V2OF7 by Materials Project},
author = {The Materials Project},
abstractNote = {V2OF7 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one V2OF7 ribbon oriented in the (0, 1, 1) direction. there are two inequivalent V+4.50+ sites. In the first V+4.50+ site, V+4.50+ is bonded in a distorted octahedral geometry to one O2- and five F1- atoms. The V–O bond length is 2.30 Å. There are a spread of V–F bond distances ranging from 1.77–2.43 Å. In the second V+4.50+ site, V+4.50+ is bonded in a distorted single-bond geometry to five F1- atoms. There are a spread of V–F bond distances ranging from 1.04–2.51 Å. O2- is bonded in a 1-coordinate geometry to one V+4.50+ atom. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted water-like geometry to two V+4.50+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one V+4.50+ atom. In the third F1- site, F1- is bonded in a 1-coordinate geometry to one V+4.50+ atom. In the fourth F1- site, F1- is bonded in an L-shaped geometry to two V+4.50+ atoms. In the fifth F1- site, F1- is bonded in a single-bond geometry to one V+4.50+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one V+4.50+ atom. In the seventh F1- site, F1- is bonded in a 2-coordinate geometry to two V+4.50+ atoms.},
doi = {10.17188/1296082},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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