Materials Data on Al(NF2)3 by Materials Project

doi:10.17188/1674736

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

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Abstract

AlNF6N2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight ammonia molecules and one AlNF6 framework. In the AlNF6 framework, Al3+ is bonded to six equivalent F1- atoms to form AlF6 octahedra that share corners with six equivalent NF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Al–F bond lengths are 1.86 Å. N1+ is bonded to six equivalent F1- atoms to form NF6 octahedra that share corners with six equivalent AlF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All N–F bond lengths are 1.92 Å. F1- is bonded in a linear geometry to one Al3+ and one N1+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1079140

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; Al(NF2)3; Al-F-N

OSTI Identifier:: 1674736

DOI:: https://doi.org/10.17188/1674736

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                    The Materials Project. Materials Data on Al(NF2)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1674736.

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                    The Materials Project. Materials Data on Al(NF2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1674736

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                    The Materials Project. 2020.  
"Materials Data on Al(NF2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1674736.  https://www.osti.gov/servlets/purl/1674736. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1674736,

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

  author       = {The Materials Project},

  abstractNote = {AlNF6N2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight ammonia molecules and one AlNF6 framework. In the AlNF6 framework, Al3+ is bonded to six equivalent F1- atoms to form AlF6 octahedra that share corners with six equivalent NF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Al–F bond lengths are 1.86 Å. N1+ is bonded to six equivalent F1- atoms to form NF6 octahedra that share corners with six equivalent AlF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All N–F bond lengths are 1.92 Å. F1- is bonded in a linear geometry to one Al3+ and one N1+ atom.},

  doi          = {10.17188/1674736},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1674736

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