Materials Data on V2OF5 by Materials Project
Abstract
V2OF5 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are four 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 a mixture of corner and edge-sharing VOF5 octahedra. The corner-sharing octahedra tilt angles range from 32–44°. The V–O bond length is 1.69 Å. There are a spread of V–F bond distances ranging from 1.93–2.04 Å. In the second V+3.50+ site, V+3.50+ is bonded to one O2- and five F1- atoms to form a mixture of corner and edge-sharing VOF5 octahedra. The corner-sharing octahedra tilt angles range from 32–44°. The V–O bond length is 1.96 Å. There are a spread of V–F bond distances ranging from 1.97–2.04 Å. In the third V+3.50+ site, V+3.50+ is bonded to one O2- and five F1- atoms to form a mixture of corner and edge-sharing VOF5 octahedra. The corner-sharing octahedra tilt angles range from 32–44°. The V–O bond length is 1.97 Å. There are a spread of V–F bond distances ranging from 1.97–2.04 Å. In the fourth V+3.50+ site, V+3.50+ is bonded to one O2- and five F1- atoms to form a mixture of corner and edge-sharing VOF5 octahedra. Themore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-764367
- 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; V2OF5; F-O-V
- OSTI Identifier:
- 1294811
- DOI:
- https://doi.org/10.17188/1294811
Citation Formats
The Materials Project. Materials Data on V2OF5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1294811.
The Materials Project. Materials Data on V2OF5 by Materials Project. United States. doi:https://doi.org/10.17188/1294811
The Materials Project. 2020.
"Materials Data on V2OF5 by Materials Project". United States. doi:https://doi.org/10.17188/1294811. https://www.osti.gov/servlets/purl/1294811. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1294811,
title = {Materials Data on V2OF5 by Materials Project},
author = {The Materials Project},
abstractNote = {V2OF5 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are four 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 a mixture of corner and edge-sharing VOF5 octahedra. The corner-sharing octahedra tilt angles range from 32–44°. The V–O bond length is 1.69 Å. There are a spread of V–F bond distances ranging from 1.93–2.04 Å. In the second V+3.50+ site, V+3.50+ is bonded to one O2- and five F1- atoms to form a mixture of corner and edge-sharing VOF5 octahedra. The corner-sharing octahedra tilt angles range from 32–44°. The V–O bond length is 1.96 Å. There are a spread of V–F bond distances ranging from 1.97–2.04 Å. In the third V+3.50+ site, V+3.50+ is bonded to one O2- and five F1- atoms to form a mixture of corner and edge-sharing VOF5 octahedra. The corner-sharing octahedra tilt angles range from 32–44°. The V–O bond length is 1.97 Å. There are a spread of V–F bond distances ranging from 1.97–2.04 Å. In the fourth V+3.50+ site, V+3.50+ is bonded to one O2- and five F1- atoms to form a mixture of corner and edge-sharing VOF5 octahedra. The corner-sharing octahedra tilt angles range from 32–44°. The V–O bond length is 1.70 Å. There are a spread of V–F bond distances ranging from 1.93–2.04 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two V+3.50+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two V+3.50+ atoms. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a water-like 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 150 degrees geometry to two V+3.50+ atoms. In the fourth F1- site, F1- is bonded in a water-like geometry to two V+3.50+ atoms. In the fifth F1- site, F1- is bonded in a water-like geometry to two V+3.50+ atoms. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two V+3.50+ atoms. In the seventh F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two V+3.50+ atoms. In the eighth F1- site, F1- is bonded in a water-like geometry to two V+3.50+ atoms. In the ninth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+3.50+ atoms. In the tenth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two V+3.50+ atoms.},
doi = {10.17188/1294811},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}