U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2Mn3F8 by Materials Project
Abstract
Li2Mn3F8 crystallizes in the cubic P4_332 space group. The structure is three-dimensional. Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with nine equivalent MnF6 octahedra. The corner-sharing octahedra tilt angles range from 53–58°. There is three shorter (1.92 Å) and one longer (2.03 Å) Li–F bond length. Mn2+ is bonded to six F1- atoms to form MnF6 octahedra that share corners with six equivalent LiF4 tetrahedra and edges with four equivalent MnF6 octahedra. There are a spread of Mn–F bond distances ranging from 2.09–2.24 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Mn2+ atoms. In the second F1- site, F1- is bonded to one Li1+ and three equivalent Mn2+ atoms to form distorted corner-sharing FLiMn3 trigonal pyramids.
- Publication Date:
- Other Number(s):
- mp-774361
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; F-Li-Mn; Li2Mn3F8; crystal structure
- OSTI Identifier:
- 1302525
- DOI:
- https://doi.org/10.17188/1302525
Citation Formats
Materials Data on Li2Mn3F8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1302525.
Materials Data on Li2Mn3F8 by Materials Project. United States. doi:https://doi.org/10.17188/1302525
2020.
"Materials Data on Li2Mn3F8 by Materials Project". United States. doi:https://doi.org/10.17188/1302525. https://www.osti.gov/servlets/purl/1302525. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1302525,
title = {Materials Data on Li2Mn3F8 by Materials Project},
abstractNote = {Li2Mn3F8 crystallizes in the cubic P4_332 space group. The structure is three-dimensional. Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with nine equivalent MnF6 octahedra. The corner-sharing octahedra tilt angles range from 53–58°. There is three shorter (1.92 Å) and one longer (2.03 Å) Li–F bond length. Mn2+ is bonded to six F1- atoms to form MnF6 octahedra that share corners with six equivalent LiF4 tetrahedra and edges with four equivalent MnF6 octahedra. There are a spread of Mn–F bond distances ranging from 2.09–2.24 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Mn2+ atoms. In the second F1- site, F1- is bonded to one Li1+ and three equivalent Mn2+ atoms to form distorted corner-sharing FLiMn3 trigonal pyramids.},
doi = {10.17188/1302525},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}