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Title: Materials Data on LiMnF5 by Materials Project

Abstract

LiMnF5 crystallizes in the tetragonal P4_1 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 1.94–2.67 Å. Mn4+ is bonded to six F1- atoms to form distorted corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are a spread of Mn–F bond distances ranging from 1.80–2.08 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two equivalent Li1+ and one Mn4+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one Mn4+ atom. In the third F1- site, F1- is bonded in a bent 120 degrees geometry to one Li1+ and one Mn4+ atom. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent Mn4+ atoms. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one Mn4+ atom.

Authors:
Publication Date:
Other Number(s):
mp-764354
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; LiMnF5; F-Li-Mn
OSTI Identifier:
1294799
DOI:
https://doi.org/10.17188/1294799

Citation Formats

The Materials Project. Materials Data on LiMnF5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1294799.
The Materials Project. Materials Data on LiMnF5 by Materials Project. United States. doi:https://doi.org/10.17188/1294799
The Materials Project. 2020. "Materials Data on LiMnF5 by Materials Project". United States. doi:https://doi.org/10.17188/1294799. https://www.osti.gov/servlets/purl/1294799. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1294799,
title = {Materials Data on LiMnF5 by Materials Project},
author = {The Materials Project},
abstractNote = {LiMnF5 crystallizes in the tetragonal P4_1 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 1.94–2.67 Å. Mn4+ is bonded to six F1- atoms to form distorted corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are a spread of Mn–F bond distances ranging from 1.80–2.08 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two equivalent Li1+ and one Mn4+ atom. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one Mn4+ atom. In the third F1- site, F1- is bonded in a bent 120 degrees geometry to one Li1+ and one Mn4+ atom. In the fourth F1- site, F1- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent Mn4+ atoms. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to one Li1+ and one Mn4+ atom.},
doi = {10.17188/1294799},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}