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Title: Materials Data on Li2Mn3F8 by Materials Project

Abstract

Li2Mn3F8 is Marcasite-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li1+ is bonded in a 3-coordinate geometry to six equivalent F1- atoms. There are three shorter (2.05 Å) and three longer (2.63 Å) Li–F bond lengths. Mn2+ is bonded to six F1- atoms to form edge-sharing MnF6 octahedra. There are two shorter (2.12 Å) and four longer (2.15 Å) Mn–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent Mn2+ atoms. In the second F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent Mn2+ atoms.

Publication Date:
Other Number(s):
mp-769630
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; Li2Mn3F8; F-Li-Mn
OSTI Identifier:
1298963
DOI:
10.17188/1298963

Citation Formats

The Materials Project. Materials Data on Li2Mn3F8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1298963.
The Materials Project. Materials Data on Li2Mn3F8 by Materials Project. United States. doi:10.17188/1298963.
The Materials Project. 2020. "Materials Data on Li2Mn3F8 by Materials Project". United States. doi:10.17188/1298963. https://www.osti.gov/servlets/purl/1298963. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1298963,
title = {Materials Data on Li2Mn3F8 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2Mn3F8 is Marcasite-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li1+ is bonded in a 3-coordinate geometry to six equivalent F1- atoms. There are three shorter (2.05 Å) and three longer (2.63 Å) Li–F bond lengths. Mn2+ is bonded to six F1- atoms to form edge-sharing MnF6 octahedra. There are two shorter (2.12 Å) and four longer (2.15 Å) Mn–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent Mn2+ atoms. In the second F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent Mn2+ atoms.},
doi = {10.17188/1298963},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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