U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiMn2O2F3 by Materials Project
Abstract
LiMn2O2F3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to two equivalent O2- and four F1- atoms. Both Li–O bond lengths are 2.63 Å. There are two shorter (1.84 Å) and two longer (2.25 Å) Li–F bond lengths. Mn3+ is bonded to three equivalent O2- and three F1- atoms to form a mixture of distorted edge and corner-sharing MnO3F3 octahedra. The corner-sharing octahedra tilt angles range from 50–55°. There is one shorter (1.94 Å) and two longer (1.95 Å) Mn–O bond length. There are a spread of Mn–F bond distances ranging from 1.93–2.35 Å. O2- is bonded in a 3-coordinate geometry to one Li1+ and three equivalent Mn3+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Li1+ and two equivalent Mn3+ atoms to form corner-sharing FLi2Mn2 tetrahedra. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Li1+ and two equivalent Mn3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1176658
- 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; LiMn2O2F3; F-Li-Mn-O
- OSTI Identifier:
- 1728257
- DOI:
- https://doi.org/10.17188/1728257
Citation Formats
The Materials Project. Materials Data on LiMn2O2F3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1728257.
The Materials Project. Materials Data on LiMn2O2F3 by Materials Project. United States. doi:https://doi.org/10.17188/1728257
The Materials Project. 2020.
"Materials Data on LiMn2O2F3 by Materials Project". United States. doi:https://doi.org/10.17188/1728257. https://www.osti.gov/servlets/purl/1728257. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1728257,
title = {Materials Data on LiMn2O2F3 by Materials Project},
author = {The Materials Project},
abstractNote = {LiMn2O2F3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to two equivalent O2- and four F1- atoms. Both Li–O bond lengths are 2.63 Å. There are two shorter (1.84 Å) and two longer (2.25 Å) Li–F bond lengths. Mn3+ is bonded to three equivalent O2- and three F1- atoms to form a mixture of distorted edge and corner-sharing MnO3F3 octahedra. The corner-sharing octahedra tilt angles range from 50–55°. There is one shorter (1.94 Å) and two longer (1.95 Å) Mn–O bond length. There are a spread of Mn–F bond distances ranging from 1.93–2.35 Å. O2- is bonded in a 3-coordinate geometry to one Li1+ and three equivalent Mn3+ atoms. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Li1+ and two equivalent Mn3+ atoms to form corner-sharing FLi2Mn2 tetrahedra. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Li1+ and two equivalent Mn3+ atoms.},
doi = {10.17188/1728257},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}