Materials Data on AlNF4 by Materials Project

doi:10.17188/1656339

Title: Materials Data on AlNF4 by Materials Project

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Abstract

(AlF4)2N2 crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of one ammonia molecule and one AlF4 sheet oriented in the (0, 0, 1) direction. In the AlF4 sheet, Al3+ is bonded to six F1- atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There is two shorter (1.80 Å) and four longer (1.82 Å) Al–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Al3+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Al3+ atom.

Authors:: The Materials Project

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

Other Number(s):: mp-1077280

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; AlNF4; Al-F-N

OSTI Identifier:: 1656339

DOI:: https://doi.org/10.17188/1656339

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                    The Materials Project. Materials Data on AlNF4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1656339.

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                    The Materials Project. Materials Data on AlNF4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1656339

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                    The Materials Project. 2020.  
"Materials Data on AlNF4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1656339.  https://www.osti.gov/servlets/purl/1656339. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1656339,

  title        = {Materials Data on AlNF4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(AlF4)2N2 crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of one ammonia molecule and one AlF4 sheet oriented in the (0, 0, 1) direction. In the AlF4 sheet, Al3+ is bonded to six F1- atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There is two shorter (1.80 Å) and four longer (1.82 Å) Al–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Al3+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one Al3+ atom.},

  doi          = {10.17188/1656339},

  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/10.17188/1656339

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