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Title: Materials Data on Li2MnF4 by Materials Project

Abstract

Li2MnF4 crystallizes in the orthorhombic Cmce 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 four equivalent LiF6 octahedra, and edges with four equivalent MnF6 octahedra. The corner-sharing octahedra tilt angles range from 1–7°. There are a spread of Li–F bond distances ranging from 2.09–2.26 Å. Mn2+ is bonded to six F1- atoms to form MnF6 octahedra that share corners with four equivalent MnF6 octahedra and edges with eight equivalent LiF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.10 Å) and two longer (2.14 Å) Mn–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to four equivalent Li1+ and one Mn2+ atom to form a mixture of corner and edge-sharing FLi4Mn square pyramids. In the second F1- site, F1- is bonded in a square co-planar geometry to two equivalent Li1+ and two equivalent Mn2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1177899
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:
1749428
DOI:
https://doi.org/10.17188/1749428

Citation Formats

The Materials Project. Materials Data on Li2MnF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1749428.
The Materials Project. Materials Data on Li2MnF4 by Materials Project. United States. doi:https://doi.org/10.17188/1749428
The Materials Project. 2020. "Materials Data on Li2MnF4 by Materials Project". United States. doi:https://doi.org/10.17188/1749428. https://www.osti.gov/servlets/purl/1749428. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1749428,
title = {Materials Data on Li2MnF4 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2MnF4 crystallizes in the orthorhombic Cmce 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 four equivalent LiF6 octahedra, and edges with four equivalent MnF6 octahedra. The corner-sharing octahedra tilt angles range from 1–7°. There are a spread of Li–F bond distances ranging from 2.09–2.26 Å. Mn2+ is bonded to six F1- atoms to form MnF6 octahedra that share corners with four equivalent MnF6 octahedra and edges with eight equivalent LiF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.10 Å) and two longer (2.14 Å) Mn–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to four equivalent Li1+ and one Mn2+ atom to form a mixture of corner and edge-sharing FLi4Mn square pyramids. In the second F1- site, F1- is bonded in a square co-planar geometry to two equivalent Li1+ and two equivalent Mn2+ atoms.},
doi = {10.17188/1749428},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}