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Title: Materials Data on Li2MnF5 by Materials Project

Abstract

Li2MnF5 crystallizes in the monoclinic C2/c 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 1.94–2.39 Å. Mn3+ is bonded to six F1- atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 60°. There are four shorter (1.89 Å) and two longer (2.17 Å) Mn–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Li1+ and two equivalent Mn3+ atoms to form distorted corner-sharing FLi2Mn2 trigonal pyramids. In the second F1- site, F1- is bonded in a 4-coordinate geometry to three equivalent Li1+ and one Mn3+ atom. In the third F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Li1+ and one Mn3+ atom.

Publication Date:
Other Number(s):
mp-556229
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; Li2MnF5; F-Li-Mn
OSTI Identifier:
1269238
DOI:
10.17188/1269238

Citation Formats

The Materials Project. Materials Data on Li2MnF5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269238.
The Materials Project. Materials Data on Li2MnF5 by Materials Project. United States. doi:10.17188/1269238.
The Materials Project. 2020. "Materials Data on Li2MnF5 by Materials Project". United States. doi:10.17188/1269238. https://www.osti.gov/servlets/purl/1269238. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1269238,
title = {Materials Data on Li2MnF5 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2MnF5 crystallizes in the monoclinic C2/c 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 1.94–2.39 Å. Mn3+ is bonded to six F1- atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 60°. There are four shorter (1.89 Å) and two longer (2.17 Å) Mn–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Li1+ and two equivalent Mn3+ atoms to form distorted corner-sharing FLi2Mn2 trigonal pyramids. In the second F1- site, F1- is bonded in a 4-coordinate geometry to three equivalent Li1+ and one Mn3+ atom. In the third F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Li1+ and one Mn3+ atom.},
doi = {10.17188/1269238},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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