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Title: Materials Data on V2OF6 by Materials Project

Abstract

V2OF6 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. there are two inequivalent V4+ sites. In the first V4+ site, V4+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 38°. There is four shorter (1.97 Å) and two longer (1.98 Å) V–F bond length. In the second V4+ site, V4+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedra tilt angles range from 38–40°. There is two shorter (1.97 Å) and four longer (1.98 Å) V–F bond length. O2- is bonded in a 3-coordinate geometry to three F1- atoms. There are one shorter (3.10 Å) and two longer (3.14 Å) O–F bond lengths. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two V4+ and one O2- atom. 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 equivalent V4+ atoms. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to twomore » equivalent V4+ and one O2- atom.« less

Publication Date:
Other Number(s):
mp-1216994
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; V2OF6; F-O-V
OSTI Identifier:
1709147
DOI:
https://doi.org/10.17188/1709147

Citation Formats

The Materials Project. Materials Data on V2OF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1709147.
The Materials Project. Materials Data on V2OF6 by Materials Project. United States. doi:https://doi.org/10.17188/1709147
The Materials Project. 2020. "Materials Data on V2OF6 by Materials Project". United States. doi:https://doi.org/10.17188/1709147. https://www.osti.gov/servlets/purl/1709147. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1709147,
title = {Materials Data on V2OF6 by Materials Project},
author = {The Materials Project},
abstractNote = {V2OF6 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. there are two inequivalent V4+ sites. In the first V4+ site, V4+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 38°. There is four shorter (1.97 Å) and two longer (1.98 Å) V–F bond length. In the second V4+ site, V4+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedra tilt angles range from 38–40°. There is two shorter (1.97 Å) and four longer (1.98 Å) V–F bond length. O2- is bonded in a 3-coordinate geometry to three F1- atoms. There are one shorter (3.10 Å) and two longer (3.14 Å) O–F bond lengths. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two V4+ and one O2- atom. 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 equivalent V4+ atoms. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent V4+ and one O2- atom.},
doi = {10.17188/1709147},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}