Materials Data on Li7IN2 by Materials Project

doi:10.17188/1261777

Title: Materials Data on Li7IN2 by Materials Project

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Abstract

Li7N2I crystallizes in the cubic Fd-3m space group. The structure is three-dimensional and consists of eight lithium molecules and one Li6N2I framework. In the Li6N2I framework, Li1+ is bonded in a 2-coordinate geometry to two equivalent N3- and one I1- atom. Both Li–N bond lengths are 2.32 Å. The Li–I bond length is 2.63 Å. N3- is bonded in a distorted body-centered cubic geometry to six equivalent Li1+ and two equivalent I1- atoms. Both N–I bond lengths are 2.41 Å. I1- is bonded in a distorted q6 geometry to six equivalent Li1+ and four equivalent N3- atoms.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-504574

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; Li7IN2; I-Li-N

OSTI Identifier:: 1261777

DOI:: https://doi.org/10.17188/1261777

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                    The Materials Project. Materials Data on Li7IN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1261777.

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                    The Materials Project. Materials Data on Li7IN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1261777

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                    The Materials Project. 2020.  
"Materials Data on Li7IN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1261777.  https://www.osti.gov/servlets/purl/1261777. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1261777,

  title        = {Materials Data on Li7IN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li7N2I crystallizes in the cubic Fd-3m space group. The structure is three-dimensional and consists of eight lithium molecules and one Li6N2I framework. In the Li6N2I framework, Li1+ is bonded in a 2-coordinate geometry to two equivalent N3- and one I1- atom. Both Li–N bond lengths are 2.32 Å. The Li–I bond length is 2.63 Å. N3- is bonded in a distorted body-centered cubic geometry to six equivalent Li1+ and two equivalent I1- atoms. Both N–I bond lengths are 2.41 Å. I1- is bonded in a distorted q6 geometry to six equivalent Li1+ and four equivalent N3- atoms.},

  doi          = {10.17188/1261777},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1261777

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