U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na2NiO2 by Materials Project
Abstract
Na2NiO2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.31–2.38 Å. In the second Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are two shorter (2.33 Å) and three longer (2.55 Å) Na–O bond lengths. Ni2+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.92 Å) and two longer (1.93 Å) Ni–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 7-coordinate geometry to five Na1+ and two equivalent Ni2+ atoms. In the second O2- site, O2- is bonded to four Na1+ and two equivalent Ni2+ atoms to form a mixture of corner and edge-sharing ONa4Ni2 octahedra. The corner-sharing octahedral tilt angles are 54°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-18765
- 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; Na2NiO2; Na-Ni-O
- OSTI Identifier:
- 1193461
- DOI:
- https://doi.org/10.17188/1193461
Citation Formats
The Materials Project. Materials Data on Na2NiO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1193461.
The Materials Project. Materials Data on Na2NiO2 by Materials Project. United States. doi:https://doi.org/10.17188/1193461
The Materials Project. 2020.
"Materials Data on Na2NiO2 by Materials Project". United States. doi:https://doi.org/10.17188/1193461. https://www.osti.gov/servlets/purl/1193461. Pub date:Fri Apr 24 00:00:00 EDT 2020
@article{osti_1193461,
title = {Materials Data on Na2NiO2 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2NiO2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.31–2.38 Å. In the second Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are two shorter (2.33 Å) and three longer (2.55 Å) Na–O bond lengths. Ni2+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.92 Å) and two longer (1.93 Å) Ni–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 7-coordinate geometry to five Na1+ and two equivalent Ni2+ atoms. In the second O2- site, O2- is bonded to four Na1+ and two equivalent Ni2+ atoms to form a mixture of corner and edge-sharing ONa4Ni2 octahedra. The corner-sharing octahedral tilt angles are 54°.},
doi = {10.17188/1193461},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Apr 24 00:00:00 EDT 2020},
month = {Fri Apr 24 00:00:00 EDT 2020}
}