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

Title: Materials Data on LiNb8O10 by Materials Project

Abstract

LiNb8O10 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Li1+ is bonded to four equivalent O2- atoms to form LiO4 tetrahedra that share corners with eight equivalent NbO5 square pyramids. All Li–O bond lengths are 1.98 Å. There are two inequivalent Nb+2.38+ sites. In the first Nb+2.38+ site, Nb+2.38+ is bonded to five O2- atoms to form NbO5 square pyramids that share corners with two equivalent LiO4 tetrahedra and edges with four equivalent NbO5 square pyramids. There are a spread of Nb–O bond distances ranging from 2.09–2.27 Å. In the second Nb+2.38+ site, Nb+2.38+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Nb–O bond distances ranging from 2.16–2.21 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a see-saw-like geometry to four Nb+2.38+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+ and three Nb+2.38+ atoms. In the third O2- site, O2- is bonded in a square co-planar geometry to four equivalent Nb+2.38+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-772215
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; LiNb8O10; Li-Nb-O
OSTI Identifier:
1301109
DOI:
https://doi.org/10.17188/1301109

Citation Formats

The Materials Project. Materials Data on LiNb8O10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1301109.
The Materials Project. Materials Data on LiNb8O10 by Materials Project. United States. doi:https://doi.org/10.17188/1301109
The Materials Project. 2020. "Materials Data on LiNb8O10 by Materials Project". United States. doi:https://doi.org/10.17188/1301109. https://www.osti.gov/servlets/purl/1301109. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1301109,
title = {Materials Data on LiNb8O10 by Materials Project},
author = {The Materials Project},
abstractNote = {LiNb8O10 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Li1+ is bonded to four equivalent O2- atoms to form LiO4 tetrahedra that share corners with eight equivalent NbO5 square pyramids. All Li–O bond lengths are 1.98 Å. There are two inequivalent Nb+2.38+ sites. In the first Nb+2.38+ site, Nb+2.38+ is bonded to five O2- atoms to form NbO5 square pyramids that share corners with two equivalent LiO4 tetrahedra and edges with four equivalent NbO5 square pyramids. There are a spread of Nb–O bond distances ranging from 2.09–2.27 Å. In the second Nb+2.38+ site, Nb+2.38+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Nb–O bond distances ranging from 2.16–2.21 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a see-saw-like geometry to four Nb+2.38+ atoms. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+ and three Nb+2.38+ atoms. In the third O2- site, O2- is bonded in a square co-planar geometry to four equivalent Nb+2.38+ atoms.},
doi = {10.17188/1301109},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}