U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on V3OF11 by Materials Project
Abstract
VF4V2OF7 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of two V2OF7 sheets oriented in the (0, 0, 1) direction and one VF4 sheet oriented in the (0, 0, 1) direction. In each V2OF7 sheet, there are two inequivalent V+4.33+ sites. In the first V+4.33+ site, V+4.33+ is bonded to one O2- and five F1- atoms to form distorted corner-sharing VOF5 octahedra. The corner-sharing octahedra tilt angles range from 23–35°. The V–O bond length is 1.65 Å. There are a spread of V–F bond distances ranging from 1.77–2.22 Å. In the second V+4.33+ site, V+4.33+ is bonded to one O2- and five F1- atoms to form corner-sharing VOF5 octahedra. The corner-sharing octahedra tilt angles range from 23–35°. The V–O bond length is 2.06 Å. There are a spread of V–F bond distances ranging from 1.77–2.01 Å. O2- is bonded in a distorted bent 150 degrees geometry to two V+4.33+ atoms. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two V+4.33+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one V+4.33+ atom. In the third F1- site,more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-780323
- 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; V3OF11; F-O-V
- OSTI Identifier:
- 1306973
- DOI:
- https://doi.org/10.17188/1306973
Citation Formats
The Materials Project. Materials Data on V3OF11 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1306973.
The Materials Project. Materials Data on V3OF11 by Materials Project. United States. doi:https://doi.org/10.17188/1306973
The Materials Project. 2020.
"Materials Data on V3OF11 by Materials Project". United States. doi:https://doi.org/10.17188/1306973. https://www.osti.gov/servlets/purl/1306973. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1306973,
title = {Materials Data on V3OF11 by Materials Project},
author = {The Materials Project},
abstractNote = {VF4V2OF7 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of two V2OF7 sheets oriented in the (0, 0, 1) direction and one VF4 sheet oriented in the (0, 0, 1) direction. In each V2OF7 sheet, there are two inequivalent V+4.33+ sites. In the first V+4.33+ site, V+4.33+ is bonded to one O2- and five F1- atoms to form distorted corner-sharing VOF5 octahedra. The corner-sharing octahedra tilt angles range from 23–35°. The V–O bond length is 1.65 Å. There are a spread of V–F bond distances ranging from 1.77–2.22 Å. In the second V+4.33+ site, V+4.33+ is bonded to one O2- and five F1- atoms to form corner-sharing VOF5 octahedra. The corner-sharing octahedra tilt angles range from 23–35°. The V–O bond length is 2.06 Å. There are a spread of V–F bond distances ranging from 1.77–2.01 Å. O2- is bonded in a distorted bent 150 degrees geometry to two V+4.33+ atoms. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two V+4.33+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one V+4.33+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one V+4.33+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one V+4.33+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two V+4.33+ atoms. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two V+4.33+ atoms. In the seventh F1- site, F1- is bonded in a single-bond geometry to one V+4.33+ atom. In the VF4 sheet, V+4.33+ is bonded to six F1- atoms to form corner-sharing VF6 octahedra. The corner-sharing octahedral tilt angles are 31°. There is two shorter (1.77 Å) and four longer (1.97 Å) V–F bond length. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent V+4.33+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one V+4.33+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one V+4.33+ atom. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent V+4.33+ atoms.},
doi = {10.17188/1306973},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}