U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na2V2O5 by Materials Project
Abstract
Na2V2O5 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.34–2.89 Å. There are two inequivalent V4+ sites. In the first V4+ site, V4+ is bonded to six O2- atoms to form VO6 octahedra that share corners with four equivalent VO6 octahedra and corners with two equivalent VO4 tetrahedra. The corner-sharing octahedral tilt angles are 13°. There are a spread of V–O bond distances ranging from 1.83–2.10 Å. In the second V4+ site, V4+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with two equivalent VO6 octahedra and corners with two equivalent VO4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. There are a spread of V–O bond distances ranging from 1.78–1.89 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Na1+ and two equivalent V4+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Na1+ and two V4+ atoms. In the third O2- site, O2- is bonded to two equivalent Na1+more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1076048
- 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; Na2V2O5; Na-O-V
- OSTI Identifier:
- 1475684
- DOI:
- https://doi.org/10.17188/1475684
Citation Formats
The Materials Project. Materials Data on Na2V2O5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1475684.
The Materials Project. Materials Data on Na2V2O5 by Materials Project. United States. doi:https://doi.org/10.17188/1475684
The Materials Project. 2020.
"Materials Data on Na2V2O5 by Materials Project". United States. doi:https://doi.org/10.17188/1475684. https://www.osti.gov/servlets/purl/1475684. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1475684,
title = {Materials Data on Na2V2O5 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2V2O5 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.34–2.89 Å. There are two inequivalent V4+ sites. In the first V4+ site, V4+ is bonded to six O2- atoms to form VO6 octahedra that share corners with four equivalent VO6 octahedra and corners with two equivalent VO4 tetrahedra. The corner-sharing octahedral tilt angles are 13°. There are a spread of V–O bond distances ranging from 1.83–2.10 Å. In the second V4+ site, V4+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with two equivalent VO6 octahedra and corners with two equivalent VO4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. There are a spread of V–O bond distances ranging from 1.78–1.89 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Na1+ and two equivalent V4+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Na1+ and two V4+ atoms. In the third O2- site, O2- is bonded to two equivalent Na1+ and two equivalent V4+ atoms to form distorted corner-sharing ONa2V2 tetrahedra.},
doi = {10.17188/1475684},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}