Materials Data on Li2MnF4 by Materials Project

doi:10.17188/1293196

Title: Materials Data on Li2MnF4 by Materials Project

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Abstract

Li2MnF4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent F1- atoms to form LiF4 tetrahedra that share corners with four equivalent LiF4 tetrahedra and corners with four equivalent MnF4 tetrahedra. All Li–F bond lengths are 1.91 Å. In the second Li1+ site, Li1+ is bonded to four equivalent F1- atoms to form LiF4 tetrahedra that share corners with four equivalent LiF4 tetrahedra and corners with four equivalent MnF4 tetrahedra. All Li–F bond lengths are 1.88 Å. Mn2+ is bonded to four equivalent F1- atoms to form MnF4 tetrahedra that share corners with eight LiF4 tetrahedra. All Mn–F bond lengths are 2.03 Å. F1- is bonded in a trigonal non-coplanar geometry to two Li1+ and one Mn2+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-763098

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:: 1293196

DOI:: https://doi.org/10.17188/1293196

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                    The Materials Project. Materials Data on Li2MnF4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1293196.

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                    The Materials Project. Materials Data on Li2MnF4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1293196

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                    The Materials Project. 2020.  
"Materials Data on Li2MnF4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1293196.  https://www.osti.gov/servlets/purl/1293196. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1293196,

  title        = {Materials Data on Li2MnF4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li2MnF4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four equivalent F1- atoms to form LiF4 tetrahedra that share corners with four equivalent LiF4 tetrahedra and corners with four equivalent MnF4 tetrahedra. All Li–F bond lengths are 1.91 Å. In the second Li1+ site, Li1+ is bonded to four equivalent F1- atoms to form LiF4 tetrahedra that share corners with four equivalent LiF4 tetrahedra and corners with four equivalent MnF4 tetrahedra. All Li–F bond lengths are 1.88 Å. Mn2+ is bonded to four equivalent F1- atoms to form MnF4 tetrahedra that share corners with eight LiF4 tetrahedra. All Mn–F bond lengths are 2.03 Å. F1- is bonded in a trigonal non-coplanar geometry to two Li1+ and one Mn2+ atom.},

  doi          = {10.17188/1293196},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1293196

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