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Title: Materials Data on Li2Nb4O11 by Materials Project

Abstract

Li2Nb4O11 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li1+ is bonded in a 1-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.91–2.71 Å. There are two inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.77–2.50 Å. In the second Nb5+ site, Nb5+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Nb–O bond distances ranging from 1.79–2.27 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three Nb5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Nb5+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one Nb5+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two Nb5+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one Nb5+ atom.more » In the sixth O2- site, O2- is bonded in a linear geometry to two equivalent Nb5+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-756168
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; Li2Nb4O11; Li-Nb-O
OSTI Identifier:
1290428
DOI:
https://doi.org/10.17188/1290428

Citation Formats

The Materials Project. Materials Data on Li2Nb4O11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290428.
The Materials Project. Materials Data on Li2Nb4O11 by Materials Project. United States. doi:https://doi.org/10.17188/1290428
The Materials Project. 2020. "Materials Data on Li2Nb4O11 by Materials Project". United States. doi:https://doi.org/10.17188/1290428. https://www.osti.gov/servlets/purl/1290428. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1290428,
title = {Materials Data on Li2Nb4O11 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2Nb4O11 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li1+ is bonded in a 1-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.91–2.71 Å. There are two inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.77–2.50 Å. In the second Nb5+ site, Nb5+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Nb–O bond distances ranging from 1.79–2.27 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three Nb5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Nb5+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one Nb5+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two Nb5+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one Nb5+ atom. In the sixth O2- site, O2- is bonded in a linear geometry to two equivalent Nb5+ atoms.},
doi = {10.17188/1290428},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}