U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na3NiO3 by Materials Project
Abstract
Na3NiO3 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.24–2.94 Å. In the second Na1+ site, Na1+ is bonded to four O2- atoms to form distorted corner-sharing NaO4 tetrahedra. There are two shorter (2.29 Å) and two longer (2.34 Å) Na–O bond lengths. Ni3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There is two shorter (1.83 Å) and two longer (1.86 Å) Ni–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Na1+ and two equivalent Ni3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to five Na1+ and one Ni3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-849937
- 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; Na3NiO3; Na-Ni-O
- OSTI Identifier:
- 1308423
- DOI:
- https://doi.org/10.17188/1308423
Citation Formats
The Materials Project. Materials Data on Na3NiO3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1308423.
The Materials Project. Materials Data on Na3NiO3 by Materials Project. United States. doi:https://doi.org/10.17188/1308423
The Materials Project. 2020.
"Materials Data on Na3NiO3 by Materials Project". United States. doi:https://doi.org/10.17188/1308423. https://www.osti.gov/servlets/purl/1308423. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1308423,
title = {Materials Data on Na3NiO3 by Materials Project},
author = {The Materials Project},
abstractNote = {Na3NiO3 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.24–2.94 Å. In the second Na1+ site, Na1+ is bonded to four O2- atoms to form distorted corner-sharing NaO4 tetrahedra. There are two shorter (2.29 Å) and two longer (2.34 Å) Na–O bond lengths. Ni3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There is two shorter (1.83 Å) and two longer (1.86 Å) Ni–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four Na1+ and two equivalent Ni3+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to five Na1+ and one Ni3+ atom.},
doi = {10.17188/1308423},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}