U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiMnF4 by Materials Project
Abstract
LiMnF4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with six equivalent MnF6 octahedra. The corner-sharing octahedra tilt angles range from 49–55°. There is two shorter (1.87 Å) and two longer (1.93 Å) Li–F bond length. Mn3+ is bonded to six F1- atoms to form MnF6 octahedra that share corners with six equivalent LiF4 tetrahedra and edges with two equivalent MnF6 octahedra. There is two shorter (1.83 Å) and four longer (2.08 Å) Mn–F bond length. 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 Mn3+ atoms. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to one Li1+ and one Mn3+ atom.
- Publication Date:
- Other Number(s):
- mp-777321
- 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; crystal structure; F-Li-Mn; LiMnF4
- OSTI Identifier:
- 1305034
- DOI:
- https://doi.org/10.17188/1305034
Citation Formats
Materials Data on LiMnF4 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1305034.
Materials Data on LiMnF4 by Materials Project. United States. doi:https://doi.org/10.17188/1305034
2017.
"Materials Data on LiMnF4 by Materials Project". United States. doi:https://doi.org/10.17188/1305034. https://www.osti.gov/servlets/purl/1305034. Pub date:Thu Jul 20 20:00:00 EDT 2017
@article{osti_1305034,
title = {Materials Data on LiMnF4 by Materials Project},
abstractNote = {LiMnF4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with six equivalent MnF6 octahedra. The corner-sharing octahedra tilt angles range from 49–55°. There is two shorter (1.87 Å) and two longer (1.93 Å) Li–F bond length. Mn3+ is bonded to six F1- atoms to form MnF6 octahedra that share corners with six equivalent LiF4 tetrahedra and edges with two equivalent MnF6 octahedra. There is two shorter (1.83 Å) and four longer (2.08 Å) Mn–F bond length. 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 Mn3+ atoms. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to one Li1+ and one Mn3+ atom.},
doi = {10.17188/1305034},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}