Materials Data on MnOF by Materials Project

doi:10.17188/1312527

Title: Materials Data on MnOF by Materials Project

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Abstract

MnOF crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Mn3+ is bonded to three equivalent O2- and three equivalent F1- atoms to form a mixture of distorted edge and corner-sharing MnO3F3 octahedra. The corner-sharing octahedra tilt angles range from 21–30°. There is one shorter (1.92 Å) and two longer (1.93 Å) Mn–O bond length. There are a spread of Mn–F bond distances ranging from 1.97–2.31 Å. O2- is bonded in a distorted T-shaped geometry to three equivalent Mn3+ atoms. F1- is bonded in a 3-coordinate geometry to three equivalent Mn3+ atoms.

Publication Date:: 2020-08-03

Other Number(s):: mp-868632

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-Mn-O; MnOF; crystal structure

OSTI Identifier:: 1312527

DOI:: https://doi.org/10.17188/1312527

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                    Materials Data on MnOF by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1312527.

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                    Materials Data on MnOF by Materials Project.  United States.  doi:https://doi.org/10.17188/1312527

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                    2020.  
"Materials Data on MnOF by Materials Project".  United States.  doi:https://doi.org/10.17188/1312527.  https://www.osti.gov/servlets/purl/1312527. Pub date:Mon Aug 03 04:00:00 UTC 2020

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@article{osti_1312527,

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

  
  abstractNote = {MnOF crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Mn3+ is bonded to three equivalent O2- and three equivalent F1- atoms to form a mixture of distorted edge and corner-sharing MnO3F3 octahedra. The corner-sharing octahedra tilt angles range from 21–30°. There is one shorter (1.92 Å) and two longer (1.93 Å) Mn–O bond length. There are a spread of Mn–F bond distances ranging from 1.97–2.31 Å. O2- is bonded in a distorted T-shaped geometry to three equivalent Mn3+ atoms. F1- is bonded in a 3-coordinate geometry to three equivalent Mn3+ atoms.},

  doi          = {10.17188/1312527},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {8}

}

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DOI: https://doi.org/10.17188/1312527

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