U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on V3OF7 by Materials Project
Abstract
V3OF7 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent V3+ sites. In the first V3+ site, V3+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedra tilt angles range from 3–32°. There are a spread of V–F bond distances ranging from 1.96–2.01 Å. In the second V3+ site, V3+ is bonded to one O2- and five F1- atoms to form distorted VOF5 octahedra that share corners with five VF6 octahedra and edges with two equivalent VOF5 octahedra. The corner-sharing octahedra tilt angles range from 27–32°. The V–O bond length is 1.81 Å. There are a spread of V–F bond distances ranging from 1.99–2.17 Å. O2- is bonded in a bent 150 degrees geometry to two equivalent V3+ atoms. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent V3+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two V3+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two V3+ atoms. In the fourth F1- site, F1- is bonded in a distortedmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1101183
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; V3OF7; F-O-V
- OSTI Identifier:
- 1662478
- DOI:
- https://doi.org/10.17188/1662478
Citation Formats
The Materials Project. Materials Data on V3OF7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1662478.
The Materials Project. Materials Data on V3OF7 by Materials Project. United States. doi:https://doi.org/10.17188/1662478
The Materials Project. 2020.
"Materials Data on V3OF7 by Materials Project". United States. doi:https://doi.org/10.17188/1662478. https://www.osti.gov/servlets/purl/1662478. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1662478,
title = {Materials Data on V3OF7 by Materials Project},
author = {The Materials Project},
abstractNote = {V3OF7 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent V3+ sites. In the first V3+ site, V3+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedra tilt angles range from 3–32°. There are a spread of V–F bond distances ranging from 1.96–2.01 Å. In the second V3+ site, V3+ is bonded to one O2- and five F1- atoms to form distorted VOF5 octahedra that share corners with five VF6 octahedra and edges with two equivalent VOF5 octahedra. The corner-sharing octahedra tilt angles range from 27–32°. The V–O bond length is 1.81 Å. There are a spread of V–F bond distances ranging from 1.99–2.17 Å. O2- is bonded in a bent 150 degrees geometry to two equivalent V3+ atoms. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent V3+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two V3+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two V3+ atoms. In the fourth F1- site, F1- is bonded in a distorted T-shaped geometry to three equivalent V3+ atoms.},
doi = {10.17188/1662478},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}