U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on VOF3 by Materials Project
Abstract
VOF3 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of one VOF3 sheet oriented in the (-1, 0, 1) direction. V5+ is bonded in a 4-coordinate geometry to two equivalent O2- and four F1- atoms. There is one shorter (1.65 Å) and one longer (2.12 Å) V–O bond length. There are a spread of V–F bond distances ranging from 1.76–2.47 Å. O2- is bonded in a distorted bent 150 degrees geometry to two equivalent V5+ atoms. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one V5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to two equivalent V5+ atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one V5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-781081
- 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; VOF3; F-O-V
- OSTI Identifier:
- 1307436
- DOI:
- https://doi.org/10.17188/1307436
Citation Formats
The Materials Project. Materials Data on VOF3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1307436.
The Materials Project. Materials Data on VOF3 by Materials Project. United States. doi:https://doi.org/10.17188/1307436
The Materials Project. 2020.
"Materials Data on VOF3 by Materials Project". United States. doi:https://doi.org/10.17188/1307436. https://www.osti.gov/servlets/purl/1307436. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1307436,
title = {Materials Data on VOF3 by Materials Project},
author = {The Materials Project},
abstractNote = {VOF3 crystallizes in the monoclinic P2_1 space group. The structure is two-dimensional and consists of one VOF3 sheet oriented in the (-1, 0, 1) direction. V5+ is bonded in a 4-coordinate geometry to two equivalent O2- and four F1- atoms. There is one shorter (1.65 Å) and one longer (2.12 Å) V–O bond length. There are a spread of V–F bond distances ranging from 1.76–2.47 Å. O2- is bonded in a distorted bent 150 degrees geometry to two equivalent V5+ atoms. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one V5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to two equivalent V5+ atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one V5+ atom.},
doi = {10.17188/1307436},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}