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

Title: Materials Data on NaNb2O4 by Materials Project

Abstract

NaNb2O4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.38–2.56 Å. There are two inequivalent Nb+3.50+ sites. In the first Nb+3.50+ site, Nb+3.50+ is bonded to six O2- atoms to form distorted edge-sharing NbO6 pentagonal pyramids. There are four shorter (2.12 Å) and two longer (2.14 Å) Nb–O bond lengths. In the second Nb+3.50+ site, Nb+3.50+ is bonded to six O2- atoms to form distorted edge-sharing NbO6 pentagonal pyramids. There are a spread of Nb–O bond distances ranging from 2.11–2.14 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Na1+ and three Nb+3.50+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Na1+ and three Nb+3.50+ atoms. In the third O2- site, O2- is bonded to two equivalent Na1+ and three Nb+3.50+ atoms to form a mixture of distorted edge, face, and corner-sharing ONa2Nb3 trigonal bipyramids.

Publication Date:
Other Number(s):
mp-760991
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:
1291729
DOI:
10.17188/1291729

Citation Formats

The Materials Project. Materials Data on NaNb2O4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1291729.
The Materials Project. Materials Data on NaNb2O4 by Materials Project. United States. doi:10.17188/1291729.
The Materials Project. 2020. "Materials Data on NaNb2O4 by Materials Project". United States. doi:10.17188/1291729. https://www.osti.gov/servlets/purl/1291729. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1291729,
title = {Materials Data on NaNb2O4 by Materials Project},
author = {The Materials Project},
abstractNote = {NaNb2O4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.38–2.56 Å. There are two inequivalent Nb+3.50+ sites. In the first Nb+3.50+ site, Nb+3.50+ is bonded to six O2- atoms to form distorted edge-sharing NbO6 pentagonal pyramids. There are four shorter (2.12 Å) and two longer (2.14 Å) Nb–O bond lengths. In the second Nb+3.50+ site, Nb+3.50+ is bonded to six O2- atoms to form distorted edge-sharing NbO6 pentagonal pyramids. There are a spread of Nb–O bond distances ranging from 2.11–2.14 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Na1+ and three Nb+3.50+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Na1+ and three Nb+3.50+ atoms. In the third O2- site, O2- is bonded to two equivalent Na1+ and three Nb+3.50+ atoms to form a mixture of distorted edge, face, and corner-sharing ONa2Nb3 trigonal bipyramids.},
doi = {10.17188/1291729},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

Dataset:

Save / Share: