U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on V6O11F by Materials Project
Abstract
V6O11F is zeta iron carbide-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 five O2- and one F1- atom to form VO5F octahedra that share corners with eight VO6 octahedra and edges with two VO5F octahedra. The corner-sharing octahedra tilt angles range from 41–55°. There are a spread of V–O bond distances ranging from 1.77–2.00 Å. The V–F bond length is 2.15 Å. In the second V+3.83+ site, V+3.83+ is bonded to six O2- atoms to form VO6 octahedra that share corners with eight equivalent VO6 octahedra and edges with two equivalent VO5F octahedra. The corner-sharing octahedra tilt angles range from 51–52°. There are a spread of V–O bond distances ranging from 1.97–2.10 Å. In the third V+3.83+ site, V+3.83+ is bonded to six O2- atoms to form VO6 octahedra that share corners with eight VO5F octahedra and edges with two VO6 octahedra. The corner-sharing octahedra tilt angles range from 41–55°. There are a spread of V–O bond distances ranging from 1.84–2.14 Å. In the fourth V+3.83+ site, V+3.83+ is bonded to five O2- and one F1- atom to formmore »
- Publication Date:
- Other Number(s):
- mp-763992
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; F-O-V; V6O11F; crystal structure
- OSTI Identifier:
- 1294161
- DOI:
- https://doi.org/10.17188/1294161
Citation Formats
Materials Data on V6O11F by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1294161.
Materials Data on V6O11F by Materials Project. United States. doi:https://doi.org/10.17188/1294161
2020.
"Materials Data on V6O11F by Materials Project". United States. doi:https://doi.org/10.17188/1294161. https://www.osti.gov/servlets/purl/1294161. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1294161,
title = {Materials Data on V6O11F by Materials Project},
abstractNote = {V6O11F is zeta iron carbide-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 five O2- and one F1- atom to form VO5F octahedra that share corners with eight VO6 octahedra and edges with two VO5F octahedra. The corner-sharing octahedra tilt angles range from 41–55°. There are a spread of V–O bond distances ranging from 1.77–2.00 Å. The V–F bond length is 2.15 Å. In the second V+3.83+ site, V+3.83+ is bonded to six O2- atoms to form VO6 octahedra that share corners with eight equivalent VO6 octahedra and edges with two equivalent VO5F octahedra. The corner-sharing octahedra tilt angles range from 51–52°. There are a spread of V–O bond distances ranging from 1.97–2.10 Å. In the third V+3.83+ site, V+3.83+ is bonded to six O2- atoms to form VO6 octahedra that share corners with eight VO5F octahedra and edges with two VO6 octahedra. The corner-sharing octahedra tilt angles range from 41–55°. There are a spread of V–O bond distances ranging from 1.84–2.14 Å. In the fourth 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 equivalent VO5F octahedra and edges with two equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 45–54°. There is one shorter (1.81 Å) and four longer (1.95 Å) V–O bond length. The V–F bond length is 2.25 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three V+3.83+ atoms. In the second O2- site, O2- is bonded in a 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 3-coordinate geometry to three V+3.83+ atoms. F1- is bonded in a 3-coordinate geometry to three V+3.83+ atoms.},
doi = {10.17188/1294161},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}