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Title: Materials Data on NaNb2O4 by Materials Project

Abstract

NaNb2O4 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one NaNb2O4 sheet oriented in the (0, 0, 1) direction. Na1+ is bonded to six equivalent O2- atoms to form distorted edge-sharing NaO6 octahedra. All Na–O bond lengths are 2.38 Å. Nb+3.50+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.08 Å) and three longer (2.19 Å) Nb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Na1+ and three equivalent Nb+3.50+ atoms to form a mixture of edge and corner-sharing ONa3Nb3 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to three equivalent Nb+3.50+ atoms.

Publication Date:
Other Number(s):
mp-1220976
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; NaNb2O4; Na-Nb-O
OSTI Identifier:
1694546
DOI:
https://doi.org/10.17188/1694546

Citation Formats

The Materials Project. Materials Data on NaNb2O4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1694546.
The Materials Project. Materials Data on NaNb2O4 by Materials Project. United States. doi:https://doi.org/10.17188/1694546
The Materials Project. 2020. "Materials Data on NaNb2O4 by Materials Project". United States. doi:https://doi.org/10.17188/1694546. https://www.osti.gov/servlets/purl/1694546. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1694546,
title = {Materials Data on NaNb2O4 by Materials Project},
author = {The Materials Project},
abstractNote = {NaNb2O4 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one NaNb2O4 sheet oriented in the (0, 0, 1) direction. Na1+ is bonded to six equivalent O2- atoms to form distorted edge-sharing NaO6 octahedra. All Na–O bond lengths are 2.38 Å. Nb+3.50+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.08 Å) and three longer (2.19 Å) Nb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Na1+ and three equivalent Nb+3.50+ atoms to form a mixture of edge and corner-sharing ONa3Nb3 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to three equivalent Nb+3.50+ atoms.},
doi = {10.17188/1694546},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}