U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na12NbO7 by Materials Project
Abstract
Na12NbO7 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. There are a spread of Na–O bond distances ranging from 2.26–2.65 Å. In the second Na1+ site, Na1+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Na–O bond distances ranging from 2.27–2.38 Å. Nb2+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Nb–O bond lengths are 2.08 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to five Na1+ and one Nb2+ atom to form distorted ONa5Nb octahedra that share corners with three equivalent ONa5Nb octahedra and edges with six ONa6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. In the second O2- site, O2- is bonded to six equivalent Na1+ atoms to form distorted edge-sharing ONa6 octahedra.
- Publication Date:
- Other Number(s):
- mp-756093
- 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; Na-Nb-O; Na12NbO7; crystal structure
- OSTI Identifier:
- 1290344
- DOI:
- https://doi.org/10.17188/1290344
Citation Formats
Materials Data on Na12NbO7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1290344.
Materials Data on Na12NbO7 by Materials Project. United States. doi:https://doi.org/10.17188/1290344
2020.
"Materials Data on Na12NbO7 by Materials Project". United States. doi:https://doi.org/10.17188/1290344. https://www.osti.gov/servlets/purl/1290344. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1290344,
title = {Materials Data on Na12NbO7 by Materials Project},
abstractNote = {Na12NbO7 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. There are a spread of Na–O bond distances ranging from 2.26–2.65 Å. In the second Na1+ site, Na1+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Na–O bond distances ranging from 2.27–2.38 Å. Nb2+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Nb–O bond lengths are 2.08 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to five Na1+ and one Nb2+ atom to form distorted ONa5Nb octahedra that share corners with three equivalent ONa5Nb octahedra and edges with six ONa6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. In the second O2- site, O2- is bonded to six equivalent Na1+ atoms to form distorted edge-sharing ONa6 octahedra.},
doi = {10.17188/1290344},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}