skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Li2MnF4 by Materials Project

Abstract

Li2MnF4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent F1- atoms to form LiF4 tetrahedra that share corners with four equivalent LiF4 tetrahedra and corners with four equivalent MnF4 tetrahedra. All Li–F bond lengths are 1.91 Å. In the second Li1+ site, Li1+ is bonded to four equivalent F1- atoms to form LiF4 tetrahedra that share corners with four equivalent LiF4 tetrahedra and corners with four equivalent MnF4 tetrahedra. All Li–F bond lengths are 1.88 Å. Mn2+ is bonded to four equivalent F1- atoms to form MnF4 tetrahedra that share corners with eight LiF4 tetrahedra. All Mn–F bond lengths are 2.03 Å. F1- is bonded in a trigonal non-coplanar geometry to two Li1+ and one Mn2+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-763098
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Li2MnF4; F-Li-Mn
OSTI Identifier:
1293196
DOI:
10.17188/1293196

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Li2MnF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1293196.
Persson, Kristin, & Project, Materials. Materials Data on Li2MnF4 by Materials Project. United States. doi:10.17188/1293196.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Li2MnF4 by Materials Project". United States. doi:10.17188/1293196. https://www.osti.gov/servlets/purl/1293196. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1293196,
title = {Materials Data on Li2MnF4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Li2MnF4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent F1- atoms to form LiF4 tetrahedra that share corners with four equivalent LiF4 tetrahedra and corners with four equivalent MnF4 tetrahedra. All Li–F bond lengths are 1.91 Å. In the second Li1+ site, Li1+ is bonded to four equivalent F1- atoms to form LiF4 tetrahedra that share corners with four equivalent LiF4 tetrahedra and corners with four equivalent MnF4 tetrahedra. All Li–F bond lengths are 1.88 Å. Mn2+ is bonded to four equivalent F1- atoms to form MnF4 tetrahedra that share corners with eight LiF4 tetrahedra. All Mn–F bond lengths are 2.03 Å. F1- is bonded in a trigonal non-coplanar geometry to two Li1+ and one Mn2+ atom.},
doi = {10.17188/1293196},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

Dataset:

Save / Share: