Materials Data on Ba2BrN by Materials Project

doi:10.17188/1350200

Title: Materials Data on Ba2BrN by Materials Project

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Abstract

Ba2NBr is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ba2+ is bonded to three equivalent N3- and three equivalent Br1- atoms to form a mixture of distorted edge and corner-sharing BaBr3N3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ba–N bond lengths are 2.84 Å. All Ba–Br bond lengths are 3.49 Å. N3- is bonded to six equivalent Ba2+ atoms to form edge-sharing NBa6 octahedra. Br1- is bonded in a 6-coordinate geometry to six equivalent Ba2+ atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-1018098

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; Ba2BrN; Ba-Br-N

OSTI Identifier:: 1350200

DOI:: https://doi.org/10.17188/1350200

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                    The Materials Project. Materials Data on Ba2BrN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1350200.

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                    The Materials Project. Materials Data on Ba2BrN by Materials Project.  United States.  doi:https://doi.org/10.17188/1350200

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                    The Materials Project. 2020.  
"Materials Data on Ba2BrN by Materials Project".  United States.  doi:https://doi.org/10.17188/1350200.  https://www.osti.gov/servlets/purl/1350200. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1350200,

  title        = {Materials Data on Ba2BrN by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba2NBr is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ba2+ is bonded to three equivalent N3- and three equivalent Br1- atoms to form a mixture of distorted edge and corner-sharing BaBr3N3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ba–N bond lengths are 2.84 Å. All Ba–Br bond lengths are 3.49 Å. N3- is bonded to six equivalent Ba2+ atoms to form edge-sharing NBa6 octahedra. Br1- is bonded in a 6-coordinate geometry to six equivalent Ba2+ atoms.},

  doi          = {10.17188/1350200},

  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/10.17188/1350200

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