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Title: Materials Data on V4OF11 by Materials Project

Abstract

V4OF11 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent V+3.25+ sites. In the first V+3.25+ site, V+3.25+ is bonded in a 2-coordinate geometry to one O2- and five F1- atoms. The V–O bond length is 1.59 Å. There are a spread of V–F bond distances ranging from 1.65–2.45 Å. In the second V+3.25+ site, V+3.25+ is bonded in a distorted square co-planar geometry to six F1- atoms. There are a spread of V–F bond distances ranging from 1.64–2.56 Å. In the third V+3.25+ site, V+3.25+ is bonded in a 2-coordinate geometry to six F1- atoms. There are a spread of V–F bond distances ranging from 1.64–2.44 Å. In the fourth V+3.25+ site, V+3.25+ is bonded in a 4-coordinate geometry to one O2- and four F1- atoms. The V–O bond length is 1.37 Å. There are a spread of V–F bond distances ranging from 1.69–2.50 Å. O2- is bonded in a distorted bent 150 degrees geometry to two V+3.25+ atoms. There are eleven inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the second F1- site, F1- is bonded in amore » 2-coordinate geometry to two V+3.25+ atoms. In the third F1- site, F1- is bonded in a 2-coordinate geometry to two V+3.25+ atoms. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two V+3.25+ atoms. In the fifth F1- site, F1- is bonded in a bent 120 degrees geometry to two V+3.25+ atoms. In the sixth F1- site, F1- is bonded in a bent 120 degrees geometry to two V+3.25+ atoms. In the seventh F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two V+3.25+ atoms. In the eighth F1- site, F1- is bonded in a 2-coordinate geometry to two V+3.25+ atoms. In the ninth F1- site, F1- is bonded in a 1-coordinate geometry to one V+3.25+ atom. In the tenth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two V+3.25+ atoms. In the eleventh F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two V+3.25+ atoms.« less

Publication Date:
Other Number(s):
mp-764086
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; V4OF11; F-O-V
OSTI Identifier:
1294377
DOI:
https://doi.org/10.17188/1294377

Citation Formats

The Materials Project. Materials Data on V4OF11 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1294377.
The Materials Project. Materials Data on V4OF11 by Materials Project. United States. doi:https://doi.org/10.17188/1294377
The Materials Project. 2014. "Materials Data on V4OF11 by Materials Project". United States. doi:https://doi.org/10.17188/1294377. https://www.osti.gov/servlets/purl/1294377. Pub date:Fri Feb 14 00:00:00 EST 2014
@article{osti_1294377,
title = {Materials Data on V4OF11 by Materials Project},
author = {The Materials Project},
abstractNote = {V4OF11 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent V+3.25+ sites. In the first V+3.25+ site, V+3.25+ is bonded in a 2-coordinate geometry to one O2- and five F1- atoms. The V–O bond length is 1.59 Å. There are a spread of V–F bond distances ranging from 1.65–2.45 Å. In the second V+3.25+ site, V+3.25+ is bonded in a distorted square co-planar geometry to six F1- atoms. There are a spread of V–F bond distances ranging from 1.64–2.56 Å. In the third V+3.25+ site, V+3.25+ is bonded in a 2-coordinate geometry to six F1- atoms. There are a spread of V–F bond distances ranging from 1.64–2.44 Å. In the fourth V+3.25+ site, V+3.25+ is bonded in a 4-coordinate geometry to one O2- and four F1- atoms. The V–O bond length is 1.37 Å. There are a spread of V–F bond distances ranging from 1.69–2.50 Å. O2- is bonded in a distorted bent 150 degrees geometry to two V+3.25+ atoms. There are eleven inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to two V+3.25+ atoms. In the third F1- site, F1- is bonded in a 2-coordinate geometry to two V+3.25+ atoms. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two V+3.25+ atoms. In the fifth F1- site, F1- is bonded in a bent 120 degrees geometry to two V+3.25+ atoms. In the sixth F1- site, F1- is bonded in a bent 120 degrees geometry to two V+3.25+ atoms. In the seventh F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two V+3.25+ atoms. In the eighth F1- site, F1- is bonded in a 2-coordinate geometry to two V+3.25+ atoms. In the ninth F1- site, F1- is bonded in a 1-coordinate geometry to one V+3.25+ atom. In the tenth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two V+3.25+ atoms. In the eleventh F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two V+3.25+ atoms.},
doi = {10.17188/1294377},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {2}
}