U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiFeF4 by Materials Project
Abstract
LiFeF4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a square co-planar geometry to four F1- atoms. There are a spread of Li–F bond distances ranging from 1.99–2.02 Å. In the second Li1+ site, Li1+ is bonded in a square co-planar geometry to four F1- atoms. There are a spread of Li–F bond distances ranging from 1.98–2.04 Å. There are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six F1- atoms to form distorted edge-sharing FeF6 octahedra. There are a spread of Fe–F bond distances ranging from 1.86–2.10 Å. In the second Fe3+ site, Fe3+ is bonded to six F1- atoms to form distorted edge-sharing FeF6 octahedra. There are a spread of Fe–F bond distances ranging from 1.86–2.11 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two Fe3+ atoms. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to one Li1+ and one Fe3+ atom. In the third F1- site, F1- is bonded in amore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-777801
- 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; LiFeF4; F-Fe-Li
- OSTI Identifier:
- 1305304
- DOI:
- https://doi.org/10.17188/1305304
Citation Formats
The Materials Project. Materials Data on LiFeF4 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1305304.
The Materials Project. Materials Data on LiFeF4 by Materials Project. United States. doi:https://doi.org/10.17188/1305304
The Materials Project. 2017.
"Materials Data on LiFeF4 by Materials Project". United States. doi:https://doi.org/10.17188/1305304. https://www.osti.gov/servlets/purl/1305304. Pub date:Sat Mar 04 00:00:00 EST 2017
@article{osti_1305304,
title = {Materials Data on LiFeF4 by Materials Project},
author = {The Materials Project},
abstractNote = {LiFeF4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a square co-planar geometry to four F1- atoms. There are a spread of Li–F bond distances ranging from 1.99–2.02 Å. In the second Li1+ site, Li1+ is bonded in a square co-planar geometry to four F1- atoms. There are a spread of Li–F bond distances ranging from 1.98–2.04 Å. There are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six F1- atoms to form distorted edge-sharing FeF6 octahedra. There are a spread of Fe–F bond distances ranging from 1.86–2.10 Å. In the second Fe3+ site, Fe3+ is bonded to six F1- atoms to form distorted edge-sharing FeF6 octahedra. There are a spread of Fe–F bond distances ranging from 1.86–2.11 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two Fe3+ atoms. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to one Li1+ and one Fe3+ atom. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two Fe3+ atoms. In the fourth F1- site, F1- is bonded in a bent 120 degrees geometry to one Li1+ and one Fe3+ atom. In the fifth F1- site, F1- is bonded in a bent 120 degrees geometry to one Li1+ and one Fe3+ atom. In the sixth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two Fe3+ atoms. In the seventh F1- site, F1- is bonded in a bent 120 degrees geometry to one Li1+ and one Fe3+ atom. In the eighth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two Fe3+ atoms.},
doi = {10.17188/1305304},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Mar 04 00:00:00 EST 2017},
month = {Sat Mar 04 00:00:00 EST 2017}
}