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Title: Materials Data on Li2NbO3 by Materials Project

Abstract

Li2NbO3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Li1+ is bonded in a 3-coordinate geometry to six O2- atoms. There are three shorter (1.95 Å) and three longer (2.67 Å) Li–O bond lengths. Nb4+ is bonded to six equivalent O2- atoms to form edge-sharing NbO6 octahedra. All Nb–O bond lengths are 2.12 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Li1+ and three equivalent Nb4+ atoms to form a mixture of distorted edge and corner-sharing OLi3Nb3 octahedra. The corner-sharing octahedra tilt angles range from 0–23°. In the second O2- site, O2- is bonded to six equivalent Li1+ atoms to form a mixture of distorted edge and corner-sharing OLi6 octahedra. The corner-sharing octahedral tilt angles are 23°.

Authors:
Publication Date:
Other Number(s):
mp-1222640
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Li2NbO3; Li-Nb-O
OSTI Identifier:
1728278
DOI:
https://doi.org/10.17188/1728278

Citation Formats

The Materials Project. Materials Data on Li2NbO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1728278.
The Materials Project. Materials Data on Li2NbO3 by Materials Project. United States. doi:https://doi.org/10.17188/1728278
The Materials Project. 2020. "Materials Data on Li2NbO3 by Materials Project". United States. doi:https://doi.org/10.17188/1728278. https://www.osti.gov/servlets/purl/1728278. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1728278,
title = {Materials Data on Li2NbO3 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2NbO3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Li1+ is bonded in a 3-coordinate geometry to six O2- atoms. There are three shorter (1.95 Å) and three longer (2.67 Å) Li–O bond lengths. Nb4+ is bonded to six equivalent O2- atoms to form edge-sharing NbO6 octahedra. All Nb–O bond lengths are 2.12 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Li1+ and three equivalent Nb4+ atoms to form a mixture of distorted edge and corner-sharing OLi3Nb3 octahedra. The corner-sharing octahedra tilt angles range from 0–23°. In the second O2- site, O2- is bonded to six equivalent Li1+ atoms to form a mixture of distorted edge and corner-sharing OLi6 octahedra. The corner-sharing octahedral tilt angles are 23°.},
doi = {10.17188/1728278},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}