U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on V2OF5 by Materials Project
Abstract
V2OF5 crystallizes in the trigonal P3 space group. The structure is three-dimensional. there are two inequivalent V+3.50+ sites. In the first V+3.50+ site, V+3.50+ is bonded to one O2- and five F1- atoms to form corner-sharing VOF5 octahedra. The corner-sharing octahedra tilt angles range from 37–48°. The V–O bond length is 2.00 Å. There are a spread of V–F bond distances ranging from 1.97–2.00 Å. In the second V+3.50+ site, V+3.50+ is bonded to one O2- and five F1- atoms to form corner-sharing VOF5 octahedra. The corner-sharing octahedra tilt angles range from 37–48°. The V–O bond length is 1.70 Å. There are a spread of V–F bond distances ranging from 1.96–2.04 Å. O2- is bonded in a distorted bent 150 degrees geometry to two V+3.50+ atoms. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.50+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.50+ atoms. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two V+3.50+ atoms. In the fourth F1- site, F1- is bonded in a distorted bent 120more »
- Publication Date:
- Other Number(s):
- mp-764357
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; F-O-V; V2OF5; crystal structure
- OSTI Identifier:
- 1294802
- DOI:
- https://doi.org/10.17188/1294802
Citation Formats
Materials Data on V2OF5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1294802.
Materials Data on V2OF5 by Materials Project. United States. doi:https://doi.org/10.17188/1294802
2020.
"Materials Data on V2OF5 by Materials Project". United States. doi:https://doi.org/10.17188/1294802. https://www.osti.gov/servlets/purl/1294802. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1294802,
title = {Materials Data on V2OF5 by Materials Project},
abstractNote = {V2OF5 crystallizes in the trigonal P3 space group. The structure is three-dimensional. there are two inequivalent V+3.50+ sites. In the first V+3.50+ site, V+3.50+ is bonded to one O2- and five F1- atoms to form corner-sharing VOF5 octahedra. The corner-sharing octahedra tilt angles range from 37–48°. The V–O bond length is 2.00 Å. There are a spread of V–F bond distances ranging from 1.97–2.00 Å. In the second V+3.50+ site, V+3.50+ is bonded to one O2- and five F1- atoms to form corner-sharing VOF5 octahedra. The corner-sharing octahedra tilt angles range from 37–48°. The V–O bond length is 1.70 Å. There are a spread of V–F bond distances ranging from 1.96–2.04 Å. O2- is bonded in a distorted bent 150 degrees geometry to two V+3.50+ atoms. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.50+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.50+ atoms. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two V+3.50+ atoms. In the fourth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two V+3.50+ atoms. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.50+ atoms.},
doi = {10.17188/1294802},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}