U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Li2MnF4 by Materials Project
Abstract
Li2MnF4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with four LiF4 tetrahedra and corners with four equivalent MnF5 trigonal bipyramids. There are a spread of Li–F bond distances ranging from 1.88–1.93 Å. In the second Li1+ site, Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with four LiF4 tetrahedra, corners with four equivalent MnF5 trigonal bipyramids, and an edgeedge with one MnF5 trigonal bipyramid. There are a spread of Li–F bond distances ranging from 1.85–2.05 Å. Mn2+ is bonded to five F1- atoms to form distorted MnF5 trigonal bipyramids that share corners with eight LiF4 tetrahedra, an edgeedge with one LiF4 tetrahedra, and an edgeedge with one MnF5 trigonal bipyramid. There are a spread of Mn–F bond distances ranging from 2.00–2.51 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Li1+ and one Mn2+ atom. In the second F1- site, F1- is bonded in a trigonal planar geometry to two Li1+more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-764846
- 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; Li2MnF4; F-Li-Mn
- OSTI Identifier:
- 1295358
- DOI:
- https://doi.org/10.17188/1295358
Citation Formats
The Materials Project. Materials Data on Li2MnF4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1295358.
The Materials Project. Materials Data on Li2MnF4 by Materials Project. United States. doi:https://doi.org/10.17188/1295358
The Materials Project. 2020.
"Materials Data on Li2MnF4 by Materials Project". United States. doi:https://doi.org/10.17188/1295358. https://www.osti.gov/servlets/purl/1295358. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1295358,
title = {Materials Data on Li2MnF4 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2MnF4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with four LiF4 tetrahedra and corners with four equivalent MnF5 trigonal bipyramids. There are a spread of Li–F bond distances ranging from 1.88–1.93 Å. In the second Li1+ site, Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with four LiF4 tetrahedra, corners with four equivalent MnF5 trigonal bipyramids, and an edgeedge with one MnF5 trigonal bipyramid. There are a spread of Li–F bond distances ranging from 1.85–2.05 Å. Mn2+ is bonded to five F1- atoms to form distorted MnF5 trigonal bipyramids that share corners with eight LiF4 tetrahedra, an edgeedge with one LiF4 tetrahedra, and an edgeedge with one MnF5 trigonal bipyramid. There are a spread of Mn–F bond distances ranging from 2.00–2.51 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Li1+ and one Mn2+ atom. In the second F1- site, F1- is bonded in a trigonal planar geometry to two Li1+ and one Mn2+ atom. In the third F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent Mn2+ atoms. In the fourth F1- site, F1- is bonded in a trigonal planar geometry to two Li1+ and one Mn2+ atom.},
doi = {10.17188/1295358},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Aug 03 00:00:00 EDT 2020},
month = {Mon Aug 03 00:00:00 EDT 2020}
}