U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaNiO2 by Materials Project
Abstract
NaNiO2 is Caswellsilverite structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form distorted NaO6 octahedra that share corners with six equivalent NiO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 11–14°. There are four shorter (2.35 Å) and two longer (2.36 Å) Na–O bond lengths. Ni3+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 11–14°. There are four shorter (1.92 Å) and two longer (2.20 Å) Ni–O bond lengths. O2- is bonded to three equivalent Na1+ and three equivalent Ni3+ atoms to form a mixture of edge and corner-sharing ONa3Ni3 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-19149
- 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; NaNiO2; Na-Ni-O
- OSTI Identifier:
- 1193973
- DOI:
- https://doi.org/10.17188/1193973
Citation Formats
The Materials Project. Materials Data on NaNiO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1193973.
The Materials Project. Materials Data on NaNiO2 by Materials Project. United States. doi:https://doi.org/10.17188/1193973
The Materials Project. 2020.
"Materials Data on NaNiO2 by Materials Project". United States. doi:https://doi.org/10.17188/1193973. https://www.osti.gov/servlets/purl/1193973. Pub date:Sat Apr 25 00:00:00 EDT 2020
@article{osti_1193973,
title = {Materials Data on NaNiO2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaNiO2 is Caswellsilverite structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form distorted NaO6 octahedra that share corners with six equivalent NiO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 11–14°. There are four shorter (2.35 Å) and two longer (2.36 Å) Na–O bond lengths. Ni3+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 11–14°. There are four shorter (1.92 Å) and two longer (2.20 Å) Ni–O bond lengths. O2- is bonded to three equivalent Na1+ and three equivalent Ni3+ atoms to form a mixture of edge and corner-sharing ONa3Ni3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1193973},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Apr 25 00:00:00 EDT 2020},
month = {Sat Apr 25 00:00:00 EDT 2020}
}