Materials Data on MgAlF5 by Materials Project

doi:10.17188/1355447

Title: Materials Data on MgAlF5 by Materials Project

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Abstract

MgF2AlF3 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two AlF3 ribbons oriented in the (1, 0, 0) direction and two MgF2 ribbons oriented in the (1, 0, 0) direction. In each AlF3 ribbon, Al3+ is bonded in a square co-planar geometry to four F1- atoms. There is two shorter (1.67 Å) and two longer (1.70 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. In each MgF2 ribbon, Mg2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent F1- atoms. All Mg–F bond lengths are 2.08 Å. F1- is bonded in a water-like geometry to two equivalent Mg2+ atoms.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1025166

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; MgAlF5; Al-F-Mg

OSTI Identifier:: 1355447

DOI:: https://doi.org/10.17188/1355447

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                    The Materials Project. Materials Data on MgAlF5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1355447.

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                    The Materials Project. Materials Data on MgAlF5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1355447

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                    The Materials Project. 2020.  
"Materials Data on MgAlF5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1355447.  https://www.osti.gov/servlets/purl/1355447. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1355447,

  title        = {Materials Data on MgAlF5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgF2AlF3 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two AlF3 ribbons oriented in the (1, 0, 0) direction and two MgF2 ribbons oriented in the (1, 0, 0) direction. In each AlF3 ribbon, Al3+ is bonded in a square co-planar geometry to four F1- atoms. There is two shorter (1.67 Å) and two longer (1.70 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. In each MgF2 ribbon, Mg2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent F1- atoms. All Mg–F bond lengths are 2.08 Å. F1- is bonded in a water-like geometry to two equivalent Mg2+ atoms.},

  doi          = {10.17188/1355447},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1355447

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