Materials Data on Li5Br2N by Materials Project

doi:10.17188/1203070

Title: Materials Data on Li5Br2N by Materials Project

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Abstract

Li5NBr2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 1-coordinate geometry to one N3- and three equivalent Br1- atoms. The Li–N bond length is 1.94 Å. There are two shorter (2.68 Å) and one longer (2.78 Å) Li–Br bond lengths. In the second Li1+ site, Li1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Li–N bond lengths are 1.96 Å. N3- is bonded to six Li1+ atoms to form corner-sharing NLi6 octahedra. The corner-sharing octahedral tilt angles are 0°. Br1- is bonded in a 6-coordinate geometry to six equivalent Li1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-29025

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; Li5Br2N; Br-Li-N

OSTI Identifier:: 1203070

DOI:: https://doi.org/10.17188/1203070

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                    The Materials Project. Materials Data on Li5Br2N by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203070.

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                    The Materials Project. Materials Data on Li5Br2N by Materials Project.  United States.  doi:https://doi.org/10.17188/1203070

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                    The Materials Project. 2020.  
"Materials Data on Li5Br2N by Materials Project".  United States.  doi:https://doi.org/10.17188/1203070.  https://www.osti.gov/servlets/purl/1203070. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1203070,

  title        = {Materials Data on Li5Br2N by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li5NBr2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 1-coordinate geometry to one N3- and three equivalent Br1- atoms. The Li–N bond length is 1.94 Å. There are two shorter (2.68 Å) and one longer (2.78 Å) Li–Br bond lengths. In the second Li1+ site, Li1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Li–N bond lengths are 1.96 Å. N3- is bonded to six Li1+ atoms to form corner-sharing NLi6 octahedra. The corner-sharing octahedral tilt angles are 0°. Br1- is bonded in a 6-coordinate geometry to six equivalent Li1+ atoms.},

  doi          = {10.17188/1203070},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1203070

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