Materials Data on Li8TeN2 by Materials Project

doi:10.17188/1652031

Title: Materials Data on Li8TeN2 by Materials Project

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Abstract

Li8N2Te crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a distorted bent 120 degrees geometry to two equivalent N3- and two equivalent Te2- atoms. There are one shorter (2.10 Å) and one longer (2.23 Å) Li–N bond lengths. There are one shorter (2.90 Å) and one longer (2.95 Å) Li–Te bond lengths. In the second Li1+ site, Li1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent N3- atoms. There are two shorter (2.09 Å) and one longer (2.13 Å) Li–N bond lengths. In the third Li1+ site, Li1+ is bonded in a bent 150 degrees geometry to two equivalent N3- atoms. Both Li–N bond lengths are 1.99 Å. In the fourth Li1+ site, Li1+ is bonded in a 2-coordinate geometry to two equivalent N3- and one Te2- atom. Both Li–N bond lengths are 2.12 Å. The Li–Te bond length is 2.77 Å. N3- is bonded in a 9-coordinate geometry to nine Li1+ atoms. Te2- is bonded in a 12-coordinate geometry to nine Li1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-1190809

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; Li8TeN2; Li-N-Te

OSTI Identifier:: 1652031

DOI:: https://doi.org/10.17188/1652031

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                    The Materials Project. Materials Data on Li8TeN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1652031.

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                    The Materials Project. Materials Data on Li8TeN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1652031

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                    The Materials Project. 2020.  
"Materials Data on Li8TeN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1652031.  https://www.osti.gov/servlets/purl/1652031. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1652031,

  title        = {Materials Data on Li8TeN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li8N2Te crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a distorted bent 120 degrees geometry to two equivalent N3- and two equivalent Te2- atoms. There are one shorter (2.10 Å) and one longer (2.23 Å) Li–N bond lengths. There are one shorter (2.90 Å) and one longer (2.95 Å) Li–Te bond lengths. In the second Li1+ site, Li1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent N3- atoms. There are two shorter (2.09 Å) and one longer (2.13 Å) Li–N bond lengths. In the third Li1+ site, Li1+ is bonded in a bent 150 degrees geometry to two equivalent N3- atoms. Both Li–N bond lengths are 1.99 Å. In the fourth Li1+ site, Li1+ is bonded in a 2-coordinate geometry to two equivalent N3- and one Te2- atom. Both Li–N bond lengths are 2.12 Å. The Li–Te bond length is 2.77 Å. N3- is bonded in a 9-coordinate geometry to nine Li1+ atoms. Te2- is bonded in a 12-coordinate geometry to nine Li1+ atoms.},

  doi          = {10.17188/1652031},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1652031

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