U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on V2O5 by Materials Project
Abstract
V2O5 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two V2O5 sheets oriented in the (-1, 0, 1) direction. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.64–1.80 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.63–1.83 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent V5+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two V5+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent V5+ atoms.
- Publication Date:
- Other Number(s):
- mp-776041
- 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; V2O5; crystal structure
- OSTI Identifier:
- 1304096
- DOI:
- https://doi.org/10.17188/1304096
Citation Formats
Materials Data on V2O5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1304096.
Materials Data on V2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1304096
2020.
"Materials Data on V2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1304096. https://www.osti.gov/servlets/purl/1304096. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1304096,
title = {Materials Data on V2O5 by Materials Project},
abstractNote = {V2O5 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two V2O5 sheets oriented in the (-1, 0, 1) direction. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.64–1.80 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.63–1.83 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent V5+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two V5+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent V5+ atoms.},
doi = {10.17188/1304096},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}