Materials Data on Mg2NF by Materials Project

doi:10.17188/1291300

Title: Materials Data on Mg2NF by Materials Project

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Abstract

Mg2NF crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Mg2+ is bonded to three equivalent N3- and two equivalent F1- atoms to form a mixture of distorted corner and edge-sharing MgN3F2 square pyramids. There are two shorter (2.15 Å) and one longer (2.16 Å) Mg–N bond lengths. Both Mg–F bond lengths are 2.15 Å. N3- is bonded to six equivalent Mg2+ atoms to form a mixture of corner and edge-sharing NMg6 octahedra. The corner-sharing octahedral tilt angles are 21°. F1- is bonded in a square co-planar geometry to four equivalent Mg2+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-7589

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; Mg2NF; F-Mg-N

OSTI Identifier:: 1291300

DOI:: https://doi.org/10.17188/1291300

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                    The Materials Project. Materials Data on Mg2NF by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1291300.

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                    The Materials Project. Materials Data on Mg2NF by Materials Project.  United States.  doi:https://doi.org/10.17188/1291300

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                    The Materials Project. 2020.  
"Materials Data on Mg2NF by Materials Project".  United States.  doi:https://doi.org/10.17188/1291300.  https://www.osti.gov/servlets/purl/1291300. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1291300,

  title        = {Materials Data on Mg2NF by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg2NF crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Mg2+ is bonded to three equivalent N3- and two equivalent F1- atoms to form a mixture of distorted corner and edge-sharing MgN3F2 square pyramids. There are two shorter (2.15 Å) and one longer (2.16 Å) Mg–N bond lengths. Both Mg–F bond lengths are 2.15 Å. N3- is bonded to six equivalent Mg2+ atoms to form a mixture of corner and edge-sharing NMg6 octahedra. The corner-sharing octahedral tilt angles are 21°. F1- is bonded in a square co-planar geometry to four equivalent Mg2+ atoms.},

  doi          = {10.17188/1291300},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1291300

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