Materials Data on MnNF3 by Materials Project

doi:10.17188/1738548

Title: Materials Data on MnNF3 by Materials Project

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Abstract

(MnF3)2N2 is High-temperature superconductor-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional and consists of four ammonia molecules and one MnF3 framework. In the MnF3 framework, Mn2+ is bonded to six F1- atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedra tilt angles range from 4–5°. There are a spread of Mn–F bond distances ranging from 1.89–2.15 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Mn2+ atoms. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Mn2+ atoms.

Publication Date:: 2020-05-02

Other Number(s):: mp-1180181

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-N; MnNF3; crystal structure

OSTI Identifier:: 1738548

DOI:: https://doi.org/10.17188/1738548

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                    Materials Data on MnNF3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1738548.

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                    Materials Data on MnNF3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1738548

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                    2020.  
"Materials Data on MnNF3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1738548.  https://www.osti.gov/servlets/purl/1738548. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1738548,

  title        = {Materials Data on MnNF3 by Materials Project},

  
  abstractNote = {(MnF3)2N2 is High-temperature superconductor-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional and consists of four ammonia molecules and one MnF3 framework. In the MnF3 framework, Mn2+ is bonded to six F1- atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedra tilt angles range from 4–5°. There are a spread of Mn–F bond distances ranging from 1.89–2.15 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Mn2+ atoms. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Mn2+ atoms.},

  doi          = {10.17188/1738548},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1738548

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Materials Data on MnNF3 by Materials Project

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(MnF3)2N2 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one ammonia molecule and one MnF3 framework. In the MnF3 framework, Mn2+ is bonded to six equivalent F1- atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mn–F bond lengths are 1.99 Å. F1- is bonded in a linear geometry to two equivalent Mn2+ atoms.
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(MnF3)2N2 is (Cubic) Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional and consists of four ammonia molecules and one MnF3 framework. In the MnF3 framework, Mn2+ is bonded to six F1- atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedra tilt angles range from 3–4°. There are a spread of Mn–F bond distances ranging from 1.92–2.06 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Mn2+ atoms. In the second F1- site, F1- is bonded in a linear geometry to twomore » equivalent Mn2+ atoms.« less
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(MnF3)2N2 is High-temperature superconductor-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional and consists of four ammonia molecules and one MnF3 framework. In the MnF3 framework, Mn2+ is bonded to six F1- atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are a spread of Mn–F bond distances ranging from 1.89–2.14 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Mn2+ atoms. In the second F1- site, F1- is bonded in a linear geometry to two equivalentmore » Mn2+ atoms.« less
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