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Title: Materials Data on LiMnF4 by Materials Project

Abstract

LiMnF4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with six equivalent MnF6 octahedra. The corner-sharing octahedra tilt angles range from 49–55°. There is two shorter (1.87 Å) and two longer (1.93 Å) Li–F bond length. Mn3+ is bonded to six F1- atoms to form MnF6 octahedra that share corners with six equivalent LiF4 tetrahedra and edges with two equivalent MnF6 octahedra. There is two shorter (1.83 Å) and four longer (2.08 Å) Mn–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Mn3+ atoms. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to one Li1+ and one Mn3+ atom.

Publication Date:
Other Number(s):
mp-777321
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; LiMnF4; F-Li-Mn
OSTI Identifier:
1305034
DOI:
10.17188/1305034

Citation Formats

The Materials Project. Materials Data on LiMnF4 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1305034.
The Materials Project. Materials Data on LiMnF4 by Materials Project. United States. doi:10.17188/1305034.
The Materials Project. 2017. "Materials Data on LiMnF4 by Materials Project". United States. doi:10.17188/1305034. https://www.osti.gov/servlets/purl/1305034. Pub date:Fri Jul 21 00:00:00 EDT 2017
@article{osti_1305034,
title = {Materials Data on LiMnF4 by Materials Project},
author = {The Materials Project},
abstractNote = {LiMnF4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with six equivalent MnF6 octahedra. The corner-sharing octahedra tilt angles range from 49–55°. There is two shorter (1.87 Å) and two longer (1.93 Å) Li–F bond length. Mn3+ is bonded to six F1- atoms to form MnF6 octahedra that share corners with six equivalent LiF4 tetrahedra and edges with two equivalent MnF6 octahedra. There is two shorter (1.83 Å) and four longer (2.08 Å) Mn–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Mn3+ atoms. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to one Li1+ and one Mn3+ atom.},
doi = {10.17188/1305034},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}

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