U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on V4O7F5 by Materials Project
Abstract
V4O7F5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent V+4.75+ sites. In the first V+4.75+ site, V+4.75+ is bonded in a 5-coordinate geometry to three O2- and two F1- atoms. There are a spread of V–O bond distances ranging from 1.47–2.22 Å. There is one shorter (1.91 Å) and one longer (1.96 Å) V–F bond length. In the second V+4.75+ site, V+4.75+ is bonded in a 2-coordinate geometry to four O2- and two F1- atoms. There are a spread of V–O bond distances ranging from 1.52–2.53 Å. There is one shorter (1.62 Å) and one longer (2.29 Å) V–F bond length. In the third V+4.75+ site, V+4.75+ is bonded in a 5-coordinate geometry to three O2- and two F1- atoms. There are a spread of V–O bond distances ranging from 1.44–2.21 Å. There is one shorter (1.70 Å) and one longer (2.05 Å) V–F bond length. In the fourth V+4.75+ site, V+4.75+ is bonded in a 2-coordinate geometry to three O2- and three F1- atoms. There are a spread of V–O bond distances ranging from 1.36–2.49 Å. There are a spread of V–F bond distances ranging from 2.08–2.38 Å. There are seven inequivalentmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-764058
- 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; V4O7F5; F-O-V
- OSTI Identifier:
- 1294313
- DOI:
- https://doi.org/10.17188/1294313
Citation Formats
The Materials Project. Materials Data on V4O7F5 by Materials Project. United States: N. p., 2014.
Web. doi:10.17188/1294313.
The Materials Project. Materials Data on V4O7F5 by Materials Project. United States. doi:https://doi.org/10.17188/1294313
The Materials Project. 2014.
"Materials Data on V4O7F5 by Materials Project". United States. doi:https://doi.org/10.17188/1294313. https://www.osti.gov/servlets/purl/1294313. Pub date:Fri Feb 14 00:00:00 EST 2014
@article{osti_1294313,
title = {Materials Data on V4O7F5 by Materials Project},
author = {The Materials Project},
abstractNote = {V4O7F5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent V+4.75+ sites. In the first V+4.75+ site, V+4.75+ is bonded in a 5-coordinate geometry to three O2- and two F1- atoms. There are a spread of V–O bond distances ranging from 1.47–2.22 Å. There is one shorter (1.91 Å) and one longer (1.96 Å) V–F bond length. In the second V+4.75+ site, V+4.75+ is bonded in a 2-coordinate geometry to four O2- and two F1- atoms. There are a spread of V–O bond distances ranging from 1.52–2.53 Å. There is one shorter (1.62 Å) and one longer (2.29 Å) V–F bond length. In the third V+4.75+ site, V+4.75+ is bonded in a 5-coordinate geometry to three O2- and two F1- atoms. There are a spread of V–O bond distances ranging from 1.44–2.21 Å. There is one shorter (1.70 Å) and one longer (2.05 Å) V–F bond length. In the fourth V+4.75+ site, V+4.75+ is bonded in a 2-coordinate geometry to three O2- and three F1- atoms. There are a spread of V–O bond distances ranging from 1.36–2.49 Å. There are a spread of V–F bond distances ranging from 2.08–2.38 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two V+4.75+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.75+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two V+4.75+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two V+4.75+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two V+4.75+ and one F1- atom. The O–F bond length is 2.51 Å. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two V+4.75+ and one F1- atom. The O–F bond length is 2.42 Å. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two V+4.75+ atoms. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two V+4.75+ atoms. In the second F1- site, F1- is bonded in a 1-coordinate geometry to two V+4.75+ atoms. In the third F1- site, F1- is bonded in a 1-coordinate geometry to two V+4.75+ atoms. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to one V+4.75+ and two O2- atoms. In the fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two V+4.75+ atoms.},
doi = {10.17188/1294313},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {2}
}