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Title: Materials Data on Li4MnF8 by Materials Project

Abstract

Li4MnF8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with six equivalent LiF6 octahedra, edges with two equivalent MnF6 octahedra, and edges with four equivalent LiF6 octahedra. The corner-sharing octahedra tilt angles range from 0–17°. There are a spread of Li–F bond distances ranging from 2.02–2.19 Å. Mn4+ is bonded to six F1- atoms to form MnF6 octahedra that share edges with eight equivalent LiF6 octahedra. There is four shorter (1.82 Å) and two longer (1.89 Å) Mn–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a square co-planar geometry to four equivalent Li1+ atoms. In the second F1- site, F1- is bonded to four equivalent Li1+ and one Mn4+ atom to form corner-sharing FLi4Mn square pyramids. In the third F1- site, F1- is bonded in a T-shaped geometry to two equivalent Li1+ and one Mn4+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-765258
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; Li4MnF8; F-Li-Mn
OSTI Identifier:
1295854
DOI:
10.17188/1295854

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Li4MnF8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1295854.
Persson, Kristin, & Project, Materials. Materials Data on Li4MnF8 by Materials Project. United States. doi:10.17188/1295854.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Li4MnF8 by Materials Project". United States. doi:10.17188/1295854. https://www.osti.gov/servlets/purl/1295854. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1295854,
title = {Materials Data on Li4MnF8 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Li4MnF8 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with six equivalent LiF6 octahedra, edges with two equivalent MnF6 octahedra, and edges with four equivalent LiF6 octahedra. The corner-sharing octahedra tilt angles range from 0–17°. There are a spread of Li–F bond distances ranging from 2.02–2.19 Å. Mn4+ is bonded to six F1- atoms to form MnF6 octahedra that share edges with eight equivalent LiF6 octahedra. There is four shorter (1.82 Å) and two longer (1.89 Å) Mn–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a square co-planar geometry to four equivalent Li1+ atoms. In the second F1- site, F1- is bonded to four equivalent Li1+ and one Mn4+ atom to form corner-sharing FLi4Mn square pyramids. In the third F1- site, F1- is bonded in a T-shaped geometry to two equivalent Li1+ and one Mn4+ atom.},
doi = {10.17188/1295854},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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