U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on V4OF11 by Materials Project
Abstract
V4OF11 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five 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 1.95–2.01 Å. In the second 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 32–33°. There are a spread of V–F bond distances ranging from 1.96–1.99 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 26–28°. There are a spread of V–F bond distances ranging from 1.97–2.00 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 32–33°. There is four shorter (1.97 Å) and two longer (1.99 Å) V–F bond length. In the fifth V+3.25+ site, V+3.25+ is bonded to one O2- and five F1- atoms to form corner-sharing VOF5 octahedra. The corner-sharingmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-779347
- 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; V4OF11; F-O-V
- OSTI Identifier:
- 1306319
- DOI:
- https://doi.org/10.17188/1306319
Citation Formats
The Materials Project. Materials Data on V4OF11 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1306319.
The Materials Project. Materials Data on V4OF11 by Materials Project. United States. doi:https://doi.org/10.17188/1306319
The Materials Project. 2020.
"Materials Data on V4OF11 by Materials Project". United States. doi:https://doi.org/10.17188/1306319. https://www.osti.gov/servlets/purl/1306319. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1306319,
title = {Materials Data on V4OF11 by Materials Project},
author = {The Materials Project},
abstractNote = {V4OF11 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five 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 1.95–2.01 Å. In the second 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 32–33°. There are a spread of V–F bond distances ranging from 1.96–1.99 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 26–28°. There are a spread of V–F bond distances ranging from 1.97–2.00 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 32–33°. There is four shorter (1.97 Å) and two longer (1.99 Å) V–F bond length. In the fifth 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 1.95 Å. There are a spread of V–F bond distances ranging from 1.97–2.00 Å. O2- is bonded in a bent 150 degrees geometry to two V+3.25+ atoms. There are eleven 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.},
doi = {10.17188/1306319},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}