Materials Data on Sc(NF2)3 by Materials Project

doi:10.17188/1652620

Title: Materials Data on Sc(NF2)3 by Materials Project

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Abstract

ScNF6N2 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight ammonia molecules and one ScNF6 framework. In the ScNF6 framework, Sc3+ is bonded to six equivalent F1- atoms to form ScF6 octahedra that share corners with six equivalent NF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–F bond lengths are 2.07 Å. N1+ is bonded to six equivalent F1- atoms to form NF6 octahedra that share corners with six equivalent ScF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All N–F bond lengths are 1.84 Å. F1- is bonded in a linear geometry to one Sc3+ and one N1+ atom.

Publication Date:: Wed Jul 15 04:00:00 UTC 2020

Other Number(s):: mp-1078490

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-N-Sc; Sc(NF2)3; crystal structure

OSTI Identifier:: 1652620

DOI:: https://doi.org/10.17188/1652620

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                    Materials Data on Sc(NF2)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1652620.

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                    Materials Data on Sc(NF2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1652620

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                    2020.  
"Materials Data on Sc(NF2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1652620.  https://www.osti.gov/servlets/purl/1652620. Pub date:Wed Jul 15 04:00:00 UTC 2020

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@article{osti_1652620,

  title        = {Materials Data on Sc(NF2)3 by Materials Project},

  
  abstractNote = {ScNF6N2 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight ammonia molecules and one ScNF6 framework. In the ScNF6 framework, Sc3+ is bonded to six equivalent F1- atoms to form ScF6 octahedra that share corners with six equivalent NF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–F bond lengths are 2.07 Å. N1+ is bonded to six equivalent F1- atoms to form NF6 octahedra that share corners with six equivalent ScF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All N–F bond lengths are 1.84 Å. F1- is bonded in a linear geometry to one Sc3+ and one N1+ atom.},

  doi          = {10.17188/1652620},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 04:00:00 UTC 2020},

  month        = {Wed Jul 15 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1652620

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