Materials Data on LiMnF4 by Materials Project

doi:10.17188/1304475

Title: Materials Data on LiMnF4 by Materials Project

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Abstract

LiMnF4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with eight equivalent MnF6 octahedra and edges with two equivalent LiF6 octahedra. The corner-sharing octahedra tilt angles range from 48–53°. There are a spread of Li–F bond distances ranging from 2.01–2.25 Å. Mn3+ is bonded to six F1- atoms to form MnF6 octahedra that share corners with eight equivalent LiF6 octahedra and edges with two equivalent MnF6 octahedra. The corner-sharing octahedra tilt angles range from 48–53°. There are a spread of Mn–F bond distances ranging from 1.86–2.06 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one Mn3+ atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Mn3+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Mn3+ atoms.

Publication Date:: 2020-08-03

Other Number(s):: mp-776813

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; F-Li-Mn; LiMnF4; crystal structure

OSTI Identifier:: 1304475

DOI:: https://doi.org/10.17188/1304475

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                    Materials Data on LiMnF4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1304475.

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                    Materials Data on LiMnF4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1304475

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                    2020.  
"Materials Data on LiMnF4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1304475.  https://www.osti.gov/servlets/purl/1304475. Pub date:Mon Aug 03 04:00:00 UTC 2020

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@article{osti_1304475,

  title        = {Materials Data on LiMnF4 by Materials Project},

  
  abstractNote = {LiMnF4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with eight equivalent MnF6 octahedra and edges with two equivalent LiF6 octahedra. The corner-sharing octahedra tilt angles range from 48–53°. There are a spread of Li–F bond distances ranging from 2.01–2.25 Å. Mn3+ is bonded to six F1- atoms to form MnF6 octahedra that share corners with eight equivalent LiF6 octahedra and edges with two equivalent MnF6 octahedra. The corner-sharing octahedra tilt angles range from 48–53°. There are a spread of Mn–F bond distances ranging from 1.86–2.06 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Li1+ and one Mn3+ atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Mn3+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Mn3+ atoms.},

  doi          = {10.17188/1304475},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {8}

}

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