U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaV2O5 by Materials Project
Abstract
NaV2O5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.32–2.62 Å. V+4.50+ is bonded to five O2- atoms to form a mixture of distorted edge and corner-sharing VO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.64–2.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Na1+ and one V+4.50+ atom. In the second O2- site, O2- is bonded to two equivalent Na1+ and two equivalent V+4.50+ atoms to form distorted corner-sharing ONa2V2 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+ and three equivalent V+4.50+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-765727
- 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; NaV2O5; Na-O-V
- OSTI Identifier:
- 1296236
- DOI:
- https://doi.org/10.17188/1296236
Citation Formats
The Materials Project. Materials Data on NaV2O5 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1296236.
The Materials Project. Materials Data on NaV2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1296236
The Materials Project. 2017.
"Materials Data on NaV2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1296236. https://www.osti.gov/servlets/purl/1296236. Pub date:Tue Jul 18 00:00:00 EDT 2017
@article{osti_1296236,
title = {Materials Data on NaV2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {NaV2O5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.32–2.62 Å. V+4.50+ is bonded to five O2- atoms to form a mixture of distorted edge and corner-sharing VO5 trigonal bipyramids. There are a spread of V–O bond distances ranging from 1.64–2.00 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Na1+ and one V+4.50+ atom. In the second O2- site, O2- is bonded to two equivalent Na1+ and two equivalent V+4.50+ atoms to form distorted corner-sharing ONa2V2 tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+ and three equivalent V+4.50+ atoms.},
doi = {10.17188/1296236},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}