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 »
- 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 = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}