U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LiMn2F5 by Materials Project
Abstract
LiMn2F5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Li–F bond distances ranging from 1.91–2.38 Å. Mn2+ is bonded to six F1- atoms to form a mixture of distorted corner and edge-sharing MnF6 octahedra. The corner-sharing octahedra tilt angles range from 29–56°. There are a spread of Mn–F bond distances ranging from 2.09–2.30 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded to one Li1+ and three equivalent Mn2+ atoms to form distorted FLiMn3 trigonal pyramids that share a cornercorner with one FLi2Mn2 tetrahedra, corners with three equivalent FLiMn3 trigonal pyramids, edges with two equivalent FLi2Mn2 tetrahedra, and edges with two equivalent FLiMn3 trigonal pyramids. In the second F1- site, F1- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent Mn2+ atoms. In the third F1- site, F1- is bonded to two equivalent Li1+ and two equivalent Mn2+ atoms to form distorted FLi2Mn2 tetrahedra that share corners with two equivalent FLi2Mn2 tetrahedra, corners with two equivalent FLiMn3 trigonal pyramids, and edges with four equivalent FLiMn3 trigonal pyramids.
- Authors:
- Publication Date:
- Other Number(s):
- mp-763331
- 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; LiMn2F5; F-Li-Mn
- OSTI Identifier:
- 1293415
- DOI:
- https://doi.org/10.17188/1293415
Citation Formats
The Materials Project. Materials Data on LiMn2F5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1293415.
The Materials Project. Materials Data on LiMn2F5 by Materials Project. United States. doi:https://doi.org/10.17188/1293415
The Materials Project. 2020.
"Materials Data on LiMn2F5 by Materials Project". United States. doi:https://doi.org/10.17188/1293415. https://www.osti.gov/servlets/purl/1293415. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1293415,
title = {Materials Data on LiMn2F5 by Materials Project},
author = {The Materials Project},
abstractNote = {LiMn2F5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Li–F bond distances ranging from 1.91–2.38 Å. Mn2+ is bonded to six F1- atoms to form a mixture of distorted corner and edge-sharing MnF6 octahedra. The corner-sharing octahedra tilt angles range from 29–56°. There are a spread of Mn–F bond distances ranging from 2.09–2.30 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded to one Li1+ and three equivalent Mn2+ atoms to form distorted FLiMn3 trigonal pyramids that share a cornercorner with one FLi2Mn2 tetrahedra, corners with three equivalent FLiMn3 trigonal pyramids, edges with two equivalent FLi2Mn2 tetrahedra, and edges with two equivalent FLiMn3 trigonal pyramids. In the second F1- site, F1- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent Mn2+ atoms. In the third F1- site, F1- is bonded to two equivalent Li1+ and two equivalent Mn2+ atoms to form distorted FLi2Mn2 tetrahedra that share corners with two equivalent FLi2Mn2 tetrahedra, corners with two equivalent FLiMn3 trigonal pyramids, and edges with four equivalent FLiMn3 trigonal pyramids.},
doi = {10.17188/1293415},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}