U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on V4O5F7 by Materials Project
Abstract
V4O5F7 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent V+4.25+ sites. In the first V+4.25+ site, V+4.25+ is bonded to three O2- and three F1- atoms to form corner-sharing VO3F3 octahedra. The corner-sharing octahedra tilt angles range from 16–31°. There are a spread of V–O bond distances ranging from 1.67–1.97 Å. There are a spread of V–F bond distances ranging from 1.97–2.07 Å. In the second V+4.25+ site, V+4.25+ is bonded to three O2- and three F1- atoms to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedra tilt angles range from 16–32°. There are a spread of V–O bond distances ranging from 1.69–2.10 Å. There are a spread of V–F bond distances ranging from 1.93–2.03 Å. In the third V+4.25+ site, V+4.25+ is bonded to two O2- and four F1- atoms to form corner-sharing VO2F4 octahedra. The corner-sharing octahedra tilt angles range from 23–39°. There is one shorter (1.69 Å) and one longer (1.94 Å) V–O bond length. There are a spread of V–F bond distances ranging from 1.96–2.04 Å. In the fourth V+4.25+ site, V+4.25+ is bonded to two O2- and four F1- atoms to form corner-sharing VO2F4 octahedra. The corner-sharing octahedramore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-764736
- 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; V4O5F7; F-O-V
- OSTI Identifier:
- 1295248
- DOI:
- https://doi.org/10.17188/1295248
Citation Formats
The Materials Project. Materials Data on V4O5F7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1295248.
The Materials Project. Materials Data on V4O5F7 by Materials Project. United States. doi:https://doi.org/10.17188/1295248
The Materials Project. 2020.
"Materials Data on V4O5F7 by Materials Project". United States. doi:https://doi.org/10.17188/1295248. https://www.osti.gov/servlets/purl/1295248. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1295248,
title = {Materials Data on V4O5F7 by Materials Project},
author = {The Materials Project},
abstractNote = {V4O5F7 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent V+4.25+ sites. In the first V+4.25+ site, V+4.25+ is bonded to three O2- and three F1- atoms to form corner-sharing VO3F3 octahedra. The corner-sharing octahedra tilt angles range from 16–31°. There are a spread of V–O bond distances ranging from 1.67–1.97 Å. There are a spread of V–F bond distances ranging from 1.97–2.07 Å. In the second V+4.25+ site, V+4.25+ is bonded to three O2- and three F1- atoms to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedra tilt angles range from 16–32°. There are a spread of V–O bond distances ranging from 1.69–2.10 Å. There are a spread of V–F bond distances ranging from 1.93–2.03 Å. In the third V+4.25+ site, V+4.25+ is bonded to two O2- and four F1- atoms to form corner-sharing VO2F4 octahedra. The corner-sharing octahedra tilt angles range from 23–39°. There is one shorter (1.69 Å) and one longer (1.94 Å) V–O bond length. There are a spread of V–F bond distances ranging from 1.96–2.04 Å. In the fourth V+4.25+ site, V+4.25+ is bonded to two O2- and four F1- atoms to form corner-sharing VO2F4 octahedra. The corner-sharing octahedra tilt angles range from 25–39°. There is one shorter (1.70 Å) and one longer (2.06 Å) V–O bond length. There are a spread of V–F bond distances ranging from 1.95–1.98 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two V+4.25+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two V+4.25+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two V+4.25+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two V+4.25+ atoms. In the fifth O2- site, O2- is bonded in a distorted linear geometry to two V+4.25+ atoms. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two V+4.25+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two V+4.25+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two V+4.25+ atoms. In the fourth F1- site, F1- is bonded in a distorted linear geometry to two V+4.25+ atoms. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+4.25+ atoms. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+4.25+ atoms. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to two V+4.25+ atoms.},
doi = {10.17188/1295248},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 22 00:00:00 EDT 2020},
month = {Wed Jul 22 00:00:00 EDT 2020}
}