U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on V6O11F by Materials Project
Abstract
V6O11F is beta Vanadium nitride-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent V+3.83+ sites. In the first V+3.83+ site, V+3.83+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of V–O bond distances ranging from 1.95–2.02 Å. In the second V+3.83+ site, V+3.83+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of V–O bond distances ranging from 1.96–1.99 Å. In the third V+3.83+ site, V+3.83+ is bonded to five O2- and one F1- atom to form VO5F octahedra that share corners with eight VO6 octahedra and edges with two equivalent VO5F octahedra. The corner-sharing octahedra tilt angles range from 46–50°. There is one shorter (1.87 Å) and four longer (1.95 Å) V–O bond length. The V–F bond length is 2.08 Å. In the fourth V+3.83+ site, V+3.83+ is bonded to four O2- and two equivalent F1- atoms to form VO4F2 octahedra that share corners with eight VO6 octahedra and edges with two equivalentmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-780119
- 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; V6O11F; F-O-V
- OSTI Identifier:
- 1306835
- DOI:
- https://doi.org/10.17188/1306835
Citation Formats
The Materials Project. Materials Data on V6O11F by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1306835.
The Materials Project. Materials Data on V6O11F by Materials Project. United States. doi:https://doi.org/10.17188/1306835
The Materials Project. 2017.
"Materials Data on V6O11F by Materials Project". United States. doi:https://doi.org/10.17188/1306835. https://www.osti.gov/servlets/purl/1306835. Pub date:Fri Jun 23 00:00:00 EDT 2017
@article{osti_1306835,
title = {Materials Data on V6O11F by Materials Project},
author = {The Materials Project},
abstractNote = {V6O11F is beta Vanadium nitride-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent V+3.83+ sites. In the first V+3.83+ site, V+3.83+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of V–O bond distances ranging from 1.95–2.02 Å. In the second V+3.83+ site, V+3.83+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of V–O bond distances ranging from 1.96–1.99 Å. In the third V+3.83+ site, V+3.83+ is bonded to five O2- and one F1- atom to form VO5F octahedra that share corners with eight VO6 octahedra and edges with two equivalent VO5F octahedra. The corner-sharing octahedra tilt angles range from 46–50°. There is one shorter (1.87 Å) and four longer (1.95 Å) V–O bond length. The V–F bond length is 2.08 Å. In the fourth V+3.83+ site, V+3.83+ is bonded to four O2- and two equivalent F1- atoms to form VO4F2 octahedra that share corners with eight VO6 octahedra and edges with two equivalent VO4F2 octahedra. The corner-sharing octahedra tilt angles range from 46–50°. There is two shorter (1.92 Å) and two longer (1.96 Å) V–O bond length. Both V–F bond lengths are 2.05 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.83+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.83+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.83+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.83+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.83+ atoms. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.83+ atoms. F1- is bonded in a 3-coordinate geometry to three V+3.83+ atoms.},
doi = {10.17188/1306835},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jun 23 00:00:00 EDT 2017},
month = {Fri Jun 23 00:00:00 EDT 2017}
}