U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiMnF3 by Materials Project
Abstract
LiMnF3 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with four equivalent MnF6 octahedra and edges with two equivalent LiF4 tetrahedra. The corner-sharing octahedra tilt angles range from 50–55°. There is two shorter (1.86 Å) and two longer (1.88 Å) Li–F bond length. Mn2+ is bonded to six F1- atoms to form distorted MnF6 octahedra that share corners with two equivalent MnF6 octahedra, corners with four equivalent LiF4 tetrahedra, and edges with five equivalent MnF6 octahedra. The corner-sharing octahedral tilt angles are 22°. There are a spread of Mn–F bond distances ranging from 2.02–2.43 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one Mn2+ atom. In the second F1- site, F1- is bonded in a distorted see-saw-like geometry to four equivalent Mn2+ atoms. In the third F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one Mn2+ atom.
- Publication Date:
- Other Number(s):
- mp-763191
- 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; LiMnF3; crystal structure
- OSTI Identifier:
- 1293285
- DOI:
- https://doi.org/10.17188/1293285
Citation Formats
Materials Data on LiMnF3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1293285.
Materials Data on LiMnF3 by Materials Project. United States. doi:https://doi.org/10.17188/1293285
2020.
"Materials Data on LiMnF3 by Materials Project". United States. doi:https://doi.org/10.17188/1293285. https://www.osti.gov/servlets/purl/1293285. Pub date:Thu Apr 30 04:00:00 UTC 2020
@article{osti_1293285,
title = {Materials Data on LiMnF3 by Materials Project},
abstractNote = {LiMnF3 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with four equivalent MnF6 octahedra and edges with two equivalent LiF4 tetrahedra. The corner-sharing octahedra tilt angles range from 50–55°. There is two shorter (1.86 Å) and two longer (1.88 Å) Li–F bond length. Mn2+ is bonded to six F1- atoms to form distorted MnF6 octahedra that share corners with two equivalent MnF6 octahedra, corners with four equivalent LiF4 tetrahedra, and edges with five equivalent MnF6 octahedra. The corner-sharing octahedral tilt angles are 22°. There are a spread of Mn–F bond distances ranging from 2.02–2.43 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one Mn2+ atom. In the second F1- site, F1- is bonded in a distorted see-saw-like geometry to four equivalent Mn2+ atoms. In the third F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one Mn2+ atom.},
doi = {10.17188/1293285},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}