Materials Data on NaCrH8(NF3)2 by Materials Project

doi:10.17188/1282132

Title: Materials Data on NaCrH8(NF3)2 by Materials Project

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Abstract

(NH4)2NaCrF6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight ammonium molecules and one NaCrF6 framework. In the NaCrF6 framework, Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent CrF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.37 Å. Cr3+ is bonded to six equivalent F1- atoms to form CrF6 octahedra that share corners with six equivalent NaF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–F bond lengths are 1.95 Å. F1- is bonded in a linear geometry to one Na1+ and one Cr3+ atom.

Authors:: The Materials Project

Publication Date:: Fri Jul 17 00:00:00 EDT 2020

Other Number(s):: mp-976447

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; NaCrH8(NF3)2; Cr-F-H-N-Na

OSTI Identifier:: 1282132

DOI:: https://doi.org/10.17188/1282132

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                    The Materials Project. Materials Data on NaCrH8(NF3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1282132.

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                    The Materials Project. Materials Data on NaCrH8(NF3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1282132

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                    The Materials Project. 2020.  
"Materials Data on NaCrH8(NF3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1282132.  https://www.osti.gov/servlets/purl/1282132. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1282132,

  title        = {Materials Data on NaCrH8(NF3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(NH4)2NaCrF6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight ammonium molecules and one NaCrF6 framework. In the NaCrF6 framework, Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent CrF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.37 Å. Cr3+ is bonded to six equivalent F1- atoms to form CrF6 octahedra that share corners with six equivalent NaF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cr–F bond lengths are 1.95 Å. F1- is bonded in a linear geometry to one Na1+ and one Cr3+ atom.},

  doi          = {10.17188/1282132},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 17 00:00:00 EDT 2020},

  month        = {Fri Jul 17 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1282132

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