U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on VO2 by Materials Project
Abstract
VO2 crystallizes in the monoclinic P2/m space group. The structure is one-dimensional and consists of one VO2 ribbon oriented in the (1, 0, 0) direction. there are two inequivalent V4+ sites. In the first V4+ site, V4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.61–1.91 Å. In the second V4+ site, V4+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There is two shorter (1.87 Å) and two longer (1.95 Å) V–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to three V4+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to two V4+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one V4+ atom.
- Publication Date:
- Other Number(s):
- mp-566801
- 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; O-V; VO2; crystal structure
- OSTI Identifier:
- 1273561
- DOI:
- https://doi.org/10.17188/1273561
Citation Formats
Materials Data on VO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1273561.
Materials Data on VO2 by Materials Project. United States. doi:https://doi.org/10.17188/1273561
2020.
"Materials Data on VO2 by Materials Project". United States. doi:https://doi.org/10.17188/1273561. https://www.osti.gov/servlets/purl/1273561. Pub date:Sat Jul 18 04:00:00 UTC 2020
@article{osti_1273561,
title = {Materials Data on VO2 by Materials Project},
abstractNote = {VO2 crystallizes in the monoclinic P2/m space group. The structure is one-dimensional and consists of one VO2 ribbon oriented in the (1, 0, 0) direction. there are two inequivalent V4+ sites. In the first V4+ site, V4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.61–1.91 Å. In the second V4+ site, V4+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There is two shorter (1.87 Å) and two longer (1.95 Å) V–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to three V4+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to two V4+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one V4+ atom.},
doi = {10.17188/1273561},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}