Materials Data on Eu2BBrN2 by Materials Project

doi:10.17188/1682714

Title: Materials Data on Eu2BBrN2 by Materials Project

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Abstract

Eu2BN2Br crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Eu2+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent N3- and three equivalent Br1- atoms. All Eu–N bond lengths are 2.48 Å. All Eu–Br bond lengths are 3.27 Å. B3+ is bonded in a linear geometry to two equivalent N3- atoms. Both B–N bond lengths are 1.35 Å. N3- is bonded to three equivalent Eu2+ and one B3+ atom to form NEu3B tetrahedra that share corners with three equivalent BrEu6 octahedra, corners with seven equivalent NEu3B tetrahedra, and edges with three equivalent BrEu6 octahedra. The corner-sharing octahedral tilt angles are 25°. Br1- is bonded to six equivalent Eu2+ atoms to form distorted BrEu6 octahedra that share corners with six equivalent NEu3B tetrahedra, edges with six equivalent BrEu6 octahedra, and edges with six equivalent NEu3B tetrahedra.

Authors:: The Materials Project

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

Other Number(s):: mp-1077381

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; Eu2BBrN2; B-Br-Eu-N

OSTI Identifier:: 1682714

DOI:: https://doi.org/10.17188/1682714

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                    The Materials Project. Materials Data on Eu2BBrN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1682714.

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                    The Materials Project. Materials Data on Eu2BBrN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1682714

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                    The Materials Project. 2020.  
"Materials Data on Eu2BBrN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1682714.  https://www.osti.gov/servlets/purl/1682714. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1682714,

  title        = {Materials Data on Eu2BBrN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Eu2BN2Br crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Eu2+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent N3- and three equivalent Br1- atoms. All Eu–N bond lengths are 2.48 Å. All Eu–Br bond lengths are 3.27 Å. B3+ is bonded in a linear geometry to two equivalent N3- atoms. Both B–N bond lengths are 1.35 Å. N3- is bonded to three equivalent Eu2+ and one B3+ atom to form NEu3B tetrahedra that share corners with three equivalent BrEu6 octahedra, corners with seven equivalent NEu3B tetrahedra, and edges with three equivalent BrEu6 octahedra. The corner-sharing octahedral tilt angles are 25°. Br1- is bonded to six equivalent Eu2+ atoms to form distorted BrEu6 octahedra that share corners with six equivalent NEu3B tetrahedra, edges with six equivalent BrEu6 octahedra, and edges with six equivalent NEu3B tetrahedra.},

  doi          = {10.17188/1682714},

  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/10.17188/1682714

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