Materials Data on LiEu2CBr3N2 by Materials Project

doi:10.17188/1274780

Title: Materials Data on LiEu2CBr3N2 by Materials Project

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Abstract

LiEu2CN2Br3 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent Br1- atoms to form corner-sharing LiBr6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Li–Br bond lengths are 2.79 Å. Eu2+ is bonded in a 6-coordinate geometry to three equivalent N3- and six equivalent Br1- atoms. All Eu–N bond lengths are 2.56 Å. There are three shorter (3.24 Å) and three longer (3.61 Å) Eu–Br bond lengths. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. N3- is bonded to three equivalent Eu2+ and one C4+ atom to form a mixture of distorted edge and corner-sharing NEu3C tetrahedra. Br1- is bonded in a 4-coordinate geometry to two equivalent Li1+ and four equivalent Eu2+ atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-568863

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; LiEu2CBr3N2; Br-C-Eu-Li-N

OSTI Identifier:: 1274780

DOI:: https://doi.org/10.17188/1274780

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                    The Materials Project. Materials Data on LiEu2CBr3N2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1274780.

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                    The Materials Project. Materials Data on LiEu2CBr3N2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1274780

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                    The Materials Project. 2020.  
"Materials Data on LiEu2CBr3N2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1274780.  https://www.osti.gov/servlets/purl/1274780. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1274780,

  title        = {Materials Data on LiEu2CBr3N2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiEu2CN2Br3 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent Br1- atoms to form corner-sharing LiBr6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Li–Br bond lengths are 2.79 Å. Eu2+ is bonded in a 6-coordinate geometry to three equivalent N3- and six equivalent Br1- atoms. All Eu–N bond lengths are 2.56 Å. There are three shorter (3.24 Å) and three longer (3.61 Å) Eu–Br bond lengths. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. N3- is bonded to three equivalent Eu2+ and one C4+ atom to form a mixture of distorted edge and corner-sharing NEu3C tetrahedra. Br1- is bonded in a 4-coordinate geometry to two equivalent Li1+ and four equivalent Eu2+ atoms.},

  doi          = {10.17188/1274780},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1274780

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