U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li3NbF6 by Materials Project
Abstract
Li3NbF6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a linear geometry to two equivalent F1- atoms. Both Li–F bond lengths are 1.75 Å. In the second Li1+ site, Li1+ is bonded in a linear geometry to two equivalent F1- atoms. Both Li–F bond lengths are 1.73 Å. In the third Li1+ site, Li1+ is bonded in a linear geometry to two equivalent F1- atoms. Both Li–F bond lengths are 1.74 Å. Nb3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Nb–F bond distances ranging from 2.11–2.13 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to one Li1+ and one Nb3+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one Nb3+ atom. In the third F1- site, F1- is bonded in a bent 120 degrees geometry to one Li1+ and one Nb3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1211885
- 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; Li3NbF6; F-Li-Nb
- OSTI Identifier:
- 1685717
- DOI:
- https://doi.org/10.17188/1685717
Citation Formats
The Materials Project. Materials Data on Li3NbF6 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1685717.
The Materials Project. Materials Data on Li3NbF6 by Materials Project. United States. doi:https://doi.org/10.17188/1685717
The Materials Project. 2019.
"Materials Data on Li3NbF6 by Materials Project". United States. doi:https://doi.org/10.17188/1685717. https://www.osti.gov/servlets/purl/1685717. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1685717,
title = {Materials Data on Li3NbF6 by Materials Project},
author = {The Materials Project},
abstractNote = {Li3NbF6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a linear geometry to two equivalent F1- atoms. Both Li–F bond lengths are 1.75 Å. In the second Li1+ site, Li1+ is bonded in a linear geometry to two equivalent F1- atoms. Both Li–F bond lengths are 1.73 Å. In the third Li1+ site, Li1+ is bonded in a linear geometry to two equivalent F1- atoms. Both Li–F bond lengths are 1.74 Å. Nb3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Nb–F bond distances ranging from 2.11–2.13 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to one Li1+ and one Nb3+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one Nb3+ atom. In the third F1- site, F1- is bonded in a bent 120 degrees geometry to one Li1+ and one Nb3+ atom.},
doi = {10.17188/1685717},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}