Materials Data on NaFeH8(NF3)2 by Materials Project

doi:10.17188/1685146

Title: Materials Data on NaFeH8(NF3)2 by Materials Project

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Abstract

(NH4)2NaFeF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight ammonium molecules and one NaFeF6 framework. In the NaFeF6 framework, Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent FeF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.40 Å. Fe3+ is bonded to six equivalent F1- atoms to form FeF6 octahedra that share corners with six equivalent NaF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Fe–F bond lengths are 1.90 Å. F1- is bonded in a linear geometry to one Na1+ and one Fe3+ atom.

Publication Date:: 2020-05-03

Other Number(s):: mp-1105542

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-Fe-H-N-Na; NaFeH8(NF3)2; crystal structure

OSTI Identifier:: 1685146

DOI:: https://doi.org/10.17188/1685146

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                    Materials Data on NaFeH8(NF3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1685146.

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                    Materials Data on NaFeH8(NF3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1685146

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                    2020.  
"Materials Data on NaFeH8(NF3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1685146.  https://www.osti.gov/servlets/purl/1685146. Pub date:Sun May 03 04:00:00 UTC 2020

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@article{osti_1685146,

  title        = {Materials Data on NaFeH8(NF3)2 by Materials Project},

  
  abstractNote = {(NH4)2NaFeF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight ammonium molecules and one NaFeF6 framework. In the NaFeF6 framework, Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent FeF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.40 Å. Fe3+ is bonded to six equivalent F1- atoms to form FeF6 octahedra that share corners with six equivalent NaF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Fe–F bond lengths are 1.90 Å. F1- is bonded in a linear geometry to one Na1+ and one Fe3+ atom.},

  doi          = {10.17188/1685146},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1685146

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