U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaV2O4 by Materials Project
Abstract
NaV2O4 crystallizes in the orthorhombic Pnma 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 2.38–2.63 Å. There are two inequivalent V+3.50+ sites. In the first V+3.50+ site, V+3.50+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 47–54°. There are a spread of V–O bond distances ranging from 1.99–2.02 Å. In the second V+3.50+ site, V+3.50+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 47–54°. There are a spread of V–O bond distances ranging from 2.00–2.02 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Na1+ and three V+3.50+ atoms to form a mixture of distorted edge and corner-sharing ONa2V3 trigonal bipyramids. In the second O2- site, O2- is bonded to two equivalent Na1+ and three equivalent V+3.50+ atoms to form a mixture of distorted edge and corner-sharing ONa2V3 trigonal bipyramids. In the third O2- site, O2- is bonded to two equivalent Na1+more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-642750
- 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; NaV2O4; Na-O-V
- OSTI Identifier:
- 1280159
- DOI:
- https://doi.org/10.17188/1280159
Citation Formats
The Materials Project. Materials Data on NaV2O4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1280159.
The Materials Project. Materials Data on NaV2O4 by Materials Project. United States. doi:https://doi.org/10.17188/1280159
The Materials Project. 2020.
"Materials Data on NaV2O4 by Materials Project". United States. doi:https://doi.org/10.17188/1280159. https://www.osti.gov/servlets/purl/1280159. Pub date:Wed Jun 24 00:00:00 EDT 2020
@article{osti_1280159,
title = {Materials Data on NaV2O4 by Materials Project},
author = {The Materials Project},
abstractNote = {NaV2O4 crystallizes in the orthorhombic Pnma 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 2.38–2.63 Å. There are two inequivalent V+3.50+ sites. In the first V+3.50+ site, V+3.50+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 47–54°. There are a spread of V–O bond distances ranging from 1.99–2.02 Å. In the second V+3.50+ site, V+3.50+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing VO6 octahedra. The corner-sharing octahedra tilt angles range from 47–54°. There are a spread of V–O bond distances ranging from 2.00–2.02 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Na1+ and three V+3.50+ atoms to form a mixture of distorted edge and corner-sharing ONa2V3 trigonal bipyramids. In the second O2- site, O2- is bonded to two equivalent Na1+ and three equivalent V+3.50+ atoms to form a mixture of distorted edge and corner-sharing ONa2V3 trigonal bipyramids. In the third O2- site, O2- is bonded to two equivalent Na1+ and three equivalent V+3.50+ atoms to form a mixture of distorted edge and corner-sharing ONa2V3 square pyramids. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Na1+ and three V+3.50+ atoms.},
doi = {10.17188/1280159},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jun 24 00:00:00 EDT 2020},
month = {Wed Jun 24 00:00:00 EDT 2020}
}