Materials Data on Li6Fe(OF)3 by Materials Project
Abstract
Li6Fe(OF)3 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Li1+ is bonded to two equivalent O2- and two equivalent F1- atoms to form a mixture of distorted edge and corner-sharing LiO2F2 trigonal pyramids. Both Li–O bond lengths are 1.96 Å. There is one shorter (1.94 Å) and one longer (1.95 Å) Li–F bond length. Fe3+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent O2- atoms. All Fe–O bond lengths are 1.86 Å. O2- is bonded to four equivalent Li1+ and one Fe3+ atom to form distorted corner-sharing OLi4Fe trigonal bipyramids. F1- is bonded in a 4-coordinate geometry to four equivalent Li1+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-780876
- 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; Li6Fe(OF)3; F-Fe-Li-O
- OSTI Identifier:
- 1307312
- DOI:
- https://doi.org/10.17188/1307312
Citation Formats
The Materials Project. Materials Data on Li6Fe(OF)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1307312.
The Materials Project. Materials Data on Li6Fe(OF)3 by Materials Project. United States. doi:https://doi.org/10.17188/1307312
The Materials Project. 2020.
"Materials Data on Li6Fe(OF)3 by Materials Project". United States. doi:https://doi.org/10.17188/1307312. https://www.osti.gov/servlets/purl/1307312. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1307312,
title = {Materials Data on Li6Fe(OF)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Li6Fe(OF)3 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Li1+ is bonded to two equivalent O2- and two equivalent F1- atoms to form a mixture of distorted edge and corner-sharing LiO2F2 trigonal pyramids. Both Li–O bond lengths are 1.96 Å. There is one shorter (1.94 Å) and one longer (1.95 Å) Li–F bond length. Fe3+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent O2- atoms. All Fe–O bond lengths are 1.86 Å. O2- is bonded to four equivalent Li1+ and one Fe3+ atom to form distorted corner-sharing OLi4Fe trigonal bipyramids. F1- is bonded in a 4-coordinate geometry to four equivalent Li1+ atoms.},
doi = {10.17188/1307312},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue May 05 00:00:00 EDT 2020},
month = {Tue May 05 00:00:00 EDT 2020}
}
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