DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on NaNbO3 by Materials Project

Abstract

NaNbO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent O2- atoms to form NaO12 cuboctahedra that share corners with twelve equivalent NaO12 cuboctahedra, faces with six equivalent NaO12 cuboctahedra, and faces with eight equivalent NbO6 octahedra. All Na–O bond lengths are 2.84 Å. Nb5+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent NbO6 octahedra and faces with eight equivalent NaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–O bond lengths are 2.00 Å. O2- is bonded in a distorted linear geometry to four equivalent Na1+ and two equivalent Nb5+ atoms.

Publication Date:
Other Number(s):
mp-3136
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; NaNbO3; Na-Nb-O
OSTI Identifier:
1205606
DOI:
https://doi.org/10.17188/1205606

Citation Formats

The Materials Project. Materials Data on NaNbO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205606.
The Materials Project. Materials Data on NaNbO3 by Materials Project. United States. doi:https://doi.org/10.17188/1205606
The Materials Project. 2020. "Materials Data on NaNbO3 by Materials Project". United States. doi:https://doi.org/10.17188/1205606. https://www.osti.gov/servlets/purl/1205606. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1205606,
title = {Materials Data on NaNbO3 by Materials Project},
author = {The Materials Project},
abstractNote = {NaNbO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent O2- atoms to form NaO12 cuboctahedra that share corners with twelve equivalent NaO12 cuboctahedra, faces with six equivalent NaO12 cuboctahedra, and faces with eight equivalent NbO6 octahedra. All Na–O bond lengths are 2.84 Å. Nb5+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent NbO6 octahedra and faces with eight equivalent NaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–O bond lengths are 2.00 Å. O2- is bonded in a distorted linear geometry to four equivalent Na1+ and two equivalent Nb5+ atoms.},
doi = {10.17188/1205606},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}