U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaNb2O4 by Materials Project
Abstract
NaNb2O4 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one NaNb2O4 sheet oriented in the (0, 0, 1) direction. Na1+ is bonded to six equivalent O2- atoms to form distorted edge-sharing NaO6 octahedra. All Na–O bond lengths are 2.38 Å. Nb+3.50+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.08 Å) and three longer (2.19 Å) Nb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Na1+ and three equivalent Nb+3.50+ atoms to form a mixture of edge and corner-sharing ONa3Nb3 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to three equivalent Nb+3.50+ atoms.
- Publication Date:
- Other Number(s):
- mp-1220976
- 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; crystal structure; Na-Nb-O; NaNb2O4
- OSTI Identifier:
- 1694546
- DOI:
- https://doi.org/10.17188/1694546
Citation Formats
Materials Data on NaNb2O4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1694546.
Materials Data on NaNb2O4 by Materials Project. United States. doi:https://doi.org/10.17188/1694546
2020.
"Materials Data on NaNb2O4 by Materials Project". United States. doi:https://doi.org/10.17188/1694546. https://www.osti.gov/servlets/purl/1694546. Pub date:Fri May 01 20:00:00 EDT 2020
@article{osti_1694546,
title = {Materials Data on NaNb2O4 by Materials Project},
abstractNote = {NaNb2O4 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one NaNb2O4 sheet oriented in the (0, 0, 1) direction. Na1+ is bonded to six equivalent O2- atoms to form distorted edge-sharing NaO6 octahedra. All Na–O bond lengths are 2.38 Å. Nb+3.50+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.08 Å) and three longer (2.19 Å) Nb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Na1+ and three equivalent Nb+3.50+ atoms to form a mixture of edge and corner-sharing ONa3Nb3 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to three equivalent Nb+3.50+ atoms.},
doi = {10.17188/1694546},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}