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Title: Materials Data on VOF2 by Materials Project

Abstract

VOF2 crystallizes in the trigonal P3_1 space group. The structure is three-dimensional. there are two inequivalent V4+ sites. In the first V4+ site, V4+ is bonded to two O2- and four F1- atoms to form corner-sharing VO2F4 octahedra. The corner-sharing octahedra tilt angles range from 23–38°. There is one shorter (1.68 Å) and one longer (1.95 Å) V–O bond length. There are a spread of V–F bond distances ranging from 1.97–2.08 Å. In the second V4+ site, V4+ is bonded to two O2- and four F1- atoms to form corner-sharing VO2F4 octahedra. The corner-sharing octahedra tilt angles range from 23–38°. There is one shorter (1.70 Å) and one longer (2.07 Å) V–O bond length. There are a spread of V–F bond distances ranging from 1.95–1.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two V4+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two V4+ atoms. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two V4+ atoms. In the second F1- site, F1- ismore » bonded in a bent 150 degrees geometry to two V4+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two V4+ atoms. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to two V4+ atoms.« less

Publication Date:
Other Number(s):
mp-778749
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; VOF2; F-O-V
OSTI Identifier:
1305746
DOI:
10.17188/1305746

Citation Formats

The Materials Project. Materials Data on VOF2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1305746.
The Materials Project. Materials Data on VOF2 by Materials Project. United States. doi:10.17188/1305746.
The Materials Project. 2020. "Materials Data on VOF2 by Materials Project". United States. doi:10.17188/1305746. https://www.osti.gov/servlets/purl/1305746. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1305746,
title = {Materials Data on VOF2 by Materials Project},
author = {The Materials Project},
abstractNote = {VOF2 crystallizes in the trigonal P3_1 space group. The structure is three-dimensional. there are two inequivalent V4+ sites. In the first V4+ site, V4+ is bonded to two O2- and four F1- atoms to form corner-sharing VO2F4 octahedra. The corner-sharing octahedra tilt angles range from 23–38°. There is one shorter (1.68 Å) and one longer (1.95 Å) V–O bond length. There are a spread of V–F bond distances ranging from 1.97–2.08 Å. In the second V4+ site, V4+ is bonded to two O2- and four F1- atoms to form corner-sharing VO2F4 octahedra. The corner-sharing octahedra tilt angles range from 23–38°. There is one shorter (1.70 Å) and one longer (2.07 Å) V–O bond length. There are a spread of V–F bond distances ranging from 1.95–1.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two V4+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two V4+ atoms. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two V4+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two V4+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two V4+ atoms. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to two V4+ atoms.},
doi = {10.17188/1305746},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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