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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 eight inequivalent V+3.25+ sites. In the first V+3.25+ site, V+3.25+ is bonded to one O2- and five F1- atoms to form corner-sharing VOF5 octahedra. The corner-sharing octahedra tilt angles range from 24–34°. The V–O bond length is 1.69 Å. There are a spread of V–F bond distances ranging from 1.96–2.02 Å. In the second V+3.25+ site, V+3.25+ is bonded to one O2- and five F1- atoms to form corner-sharing VOF5 octahedra. The corner-sharing octahedra tilt angles range from 23–34°. The V–O bond length is 1.95 Å. There are a spread of V–F bond distances ranging from 1.97–2.00 Å. In the third V+3.25+ site, V+3.25+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedra tilt angles range from 27–31°. There are a spread of V–F bond distances ranging from 1.96–1.99 Å. In the fourth V+3.25+ site, V+3.25+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedra tilt angles range from 30–32°. There is four shorter (1.97 Å) and two longer (1.98 Å) V–F bond length. In the fifth V+3.25+ site, V+3.25+ is bonded to six F1- atomsmore » to form corner-sharing VF6 octahedra. The corner-sharing octahedra tilt angles range from 26–31°. There are a spread of V–F bond distances ranging from 1.97–1.99 Å. In the sixth V+3.25+ site, V+3.25+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedra tilt angles range from 30–32°. There are a spread of V–F bond distances ranging from 1.96–1.98 Å. In the seventh V+3.25+ site, V+3.25+ is bonded to one O2- and five F1- atoms to form corner-sharing VOF5 octahedra. The corner-sharing octahedra tilt angles range from 24–34°. The V–O bond length is 1.96 Å. There are a spread of V–F bond distances ranging from 1.97–1.99 Å. In the eighth V+3.25+ site, V+3.25+ is bonded to one O2- and five F1- atoms to form corner-sharing VOF5 octahedra. The corner-sharing octahedra tilt angles range from 23–34°. The V–O bond length is 1.70 Å. There are a spread of V–F bond distances ranging from 1.96–2.02 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. There are twenty-two 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 bent 150 degrees geometry to two V+3.25+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the eighth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the ninth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the tenth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the eleventh F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the twelfth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the thirteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the fourteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the fifteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the sixteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the seventeenth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the eighteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the nineteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the twentieth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the twenty-first F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the twenty-second F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-774387
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:
1302548
DOI:
10.17188/1302548

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on V4OF11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1302548.
Persson, Kristin, & Project, Materials. Materials Data on V4OF11 by Materials Project. United States. doi:10.17188/1302548.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on V4OF11 by Materials Project". United States. doi:10.17188/1302548. https://www.osti.gov/servlets/purl/1302548. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1302548,
title = {Materials Data on V4OF11 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {V4OF11 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent V+3.25+ sites. In the first V+3.25+ site, V+3.25+ is bonded to one O2- and five F1- atoms to form corner-sharing VOF5 octahedra. The corner-sharing octahedra tilt angles range from 24–34°. The V–O bond length is 1.69 Å. There are a spread of V–F bond distances ranging from 1.96–2.02 Å. In the second V+3.25+ site, V+3.25+ is bonded to one O2- and five F1- atoms to form corner-sharing VOF5 octahedra. The corner-sharing octahedra tilt angles range from 23–34°. The V–O bond length is 1.95 Å. There are a spread of V–F bond distances ranging from 1.97–2.00 Å. In the third V+3.25+ site, V+3.25+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedra tilt angles range from 27–31°. There are a spread of V–F bond distances ranging from 1.96–1.99 Å. In the fourth V+3.25+ site, V+3.25+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedra tilt angles range from 30–32°. There is four shorter (1.97 Å) and two longer (1.98 Å) V–F bond length. In the fifth V+3.25+ site, V+3.25+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedra tilt angles range from 26–31°. There are a spread of V–F bond distances ranging from 1.97–1.99 Å. In the sixth V+3.25+ site, V+3.25+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedra tilt angles range from 30–32°. There are a spread of V–F bond distances ranging from 1.96–1.98 Å. In the seventh V+3.25+ site, V+3.25+ is bonded to one O2- and five F1- atoms to form corner-sharing VOF5 octahedra. The corner-sharing octahedra tilt angles range from 24–34°. The V–O bond length is 1.96 Å. There are a spread of V–F bond distances ranging from 1.97–1.99 Å. In the eighth V+3.25+ site, V+3.25+ is bonded to one O2- and five F1- atoms to form corner-sharing VOF5 octahedra. The corner-sharing octahedra tilt angles range from 23–34°. The V–O bond length is 1.70 Å. There are a spread of V–F bond distances ranging from 1.96–2.02 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. There are twenty-two 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 bent 150 degrees geometry to two V+3.25+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the eighth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the ninth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the tenth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the eleventh F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the twelfth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the thirteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the fourteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the fifteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the sixteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the seventeenth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the eighteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the nineteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the twentieth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the twenty-first F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. In the twenty-second F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms.},
doi = {10.17188/1302548},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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