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Title: Materials Data on NaNbO2 by Materials Project

Abstract

NaNbO2 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 octahedra that share corners with six equivalent NbO6 pentagonal pyramids, edges with six equivalent NaO6 octahedra, and edges with six equivalent NbO6 pentagonal pyramids. All Na–O bond lengths are 2.36 Å. Nb3+ is bonded to six equivalent O2- atoms to form distorted NbO6 pentagonal pyramids that share corners with six equivalent NaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent NbO6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 5°. All Nb–O bond lengths are 2.18 Å. O2- is bonded to three equivalent Na1+ and three equivalent Nb3+ atoms to form a mixture of edge, corner, and face-sharing ONa3Nb3 octahedra. The corner-sharing octahedra tilt angles range from 0–47°.

Publication Date:
Other Number(s):
mp-3744
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; NaNbO2; Na-Nb-O
OSTI Identifier:
1207362
DOI:
10.17188/1207362

Citation Formats

The Materials Project. Materials Data on NaNbO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207362.
The Materials Project. Materials Data on NaNbO2 by Materials Project. United States. doi:10.17188/1207362.
The Materials Project. 2020. "Materials Data on NaNbO2 by Materials Project". United States. doi:10.17188/1207362. https://www.osti.gov/servlets/purl/1207362. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1207362,
title = {Materials Data on NaNbO2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaNbO2 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 octahedra that share corners with six equivalent NbO6 pentagonal pyramids, edges with six equivalent NaO6 octahedra, and edges with six equivalent NbO6 pentagonal pyramids. All Na–O bond lengths are 2.36 Å. Nb3+ is bonded to six equivalent O2- atoms to form distorted NbO6 pentagonal pyramids that share corners with six equivalent NaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent NbO6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 5°. All Nb–O bond lengths are 2.18 Å. O2- is bonded to three equivalent Na1+ and three equivalent Nb3+ atoms to form a mixture of edge, corner, and face-sharing ONa3Nb3 octahedra. The corner-sharing octahedra tilt angles range from 0–47°.},
doi = {10.17188/1207362},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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