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Title: Materials Data on NaNiO2 by Materials Project

Abstract

NaNiO2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form distorted NaO6 pentagonal pyramids that share corners with six equivalent NiO6 octahedra, edges with six equivalent NiO6 octahedra, and edges with six equivalent NaO6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 12°. All Na–O bond lengths are 2.38 Å. Ni3+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent NaO6 pentagonal pyramids, edges with six equivalent NiO6 octahedra, and edges with six equivalent NaO6 pentagonal pyramids. All Ni–O bond lengths are 2.02 Å. O2- is bonded to three equivalent Na1+ and three equivalent Ni3+ atoms to form a mixture of face, edge, and corner-sharing ONa3Ni3 octahedra. The corner-sharing octahedra tilt angles range from 0–43°.

Publication Date:
Other Number(s):
mp-971634
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; NaNiO2; Na-Ni-O
OSTI Identifier:
1313535
DOI:
https://doi.org/10.17188/1313535

Citation Formats

The Materials Project. Materials Data on NaNiO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1313535.
The Materials Project. Materials Data on NaNiO2 by Materials Project. United States. doi:https://doi.org/10.17188/1313535
The Materials Project. 2020. "Materials Data on NaNiO2 by Materials Project". United States. doi:https://doi.org/10.17188/1313535. https://www.osti.gov/servlets/purl/1313535. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1313535,
title = {Materials Data on NaNiO2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaNiO2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form distorted NaO6 pentagonal pyramids that share corners with six equivalent NiO6 octahedra, edges with six equivalent NiO6 octahedra, and edges with six equivalent NaO6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 12°. All Na–O bond lengths are 2.38 Å. Ni3+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent NaO6 pentagonal pyramids, edges with six equivalent NiO6 octahedra, and edges with six equivalent NaO6 pentagonal pyramids. All Ni–O bond lengths are 2.02 Å. O2- is bonded to three equivalent Na1+ and three equivalent Ni3+ atoms to form a mixture of face, edge, and corner-sharing ONa3Ni3 octahedra. The corner-sharing octahedra tilt angles range from 0–43°.},
doi = {10.17188/1313535},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}