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Title: Materials Data on LiMnF4 by Materials Project

Abstract

LiMnF4 crystallizes in the monoclinic C2/m 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 1.90–2.38 Å. Mn3+ is bonded to six F1- atoms to form a mixture of edge and corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 29°. There are a spread of Mn–F bond distances ranging from 1.83–2.20 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one Mn3+ atom. In the second F1- site, F1- is bonded in a linear geometry to one Li1+ and one Mn3+ atom. In the third F1- site, F1- is bonded to one Li1+ and three equivalent Mn3+ atoms to form a mixture of distorted edge and corner-sharing FLiMn3 trigonal pyramids. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one Mn3+ atom.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1724908
Report Number(s):
mp-1176626
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; LiMnF4; F-Li-Mn

Citation Formats

The Materials Project. Materials Data on LiMnF4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1724908.
The Materials Project. Materials Data on LiMnF4 by Materials Project. United States. https://doi.org/10.17188/1724908
The Materials Project. 2019. "Materials Data on LiMnF4 by Materials Project". United States. https://doi.org/10.17188/1724908. https://www.osti.gov/servlets/purl/1724908.
@article{osti_1724908,
title = {Materials Data on LiMnF4 by Materials Project},
author = {The Materials Project},
abstractNote = {LiMnF4 crystallizes in the monoclinic C2/m 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 1.90–2.38 Å. Mn3+ is bonded to six F1- atoms to form a mixture of edge and corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 29°. There are a spread of Mn–F bond distances ranging from 1.83–2.20 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one Mn3+ atom. In the second F1- site, F1- is bonded in a linear geometry to one Li1+ and one Mn3+ atom. In the third F1- site, F1- is bonded to one Li1+ and three equivalent Mn3+ atoms to form a mixture of distorted edge and corner-sharing FLiMn3 trigonal pyramids. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Li1+ and one Mn3+ atom.},
doi = {10.17188/1724908},
url = {https://www.osti.gov/biblio/1724908}, journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}