Materials Data on LiC12 by Materials Project

doi:10.17188/1687430

Title: Materials Data on LiC12 by Materials Project

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Abstract

LiC12 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two LiC12 sheets oriented in the (0, 0, 1) direction. Li1+ is bonded in a cuboctahedral geometry to twelve C+0.08- atoms. All Li–C bond lengths are 2.37 Å. There are three inequivalent C+0.08- sites. In the first C+0.08- site, C+0.08- is bonded in a 4-coordinate geometry to one Li1+ and three C+0.08- atoms. There is two shorter (1.43 Å) and one longer (1.44 Å) C–C bond length. In the second C+0.08- site, C+0.08- is bonded in a 4-coordinate geometry to one Li1+ and three C+0.08- atoms. The C–C bond length is 1.43 Å. In the third C+0.08- site, C+0.08- is bonded in a 4-coordinate geometry to one Li1+ and three C+0.08- atoms. The C–C bond length is 1.44 Å.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-1232339

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; LiC12; C-Li

OSTI Identifier:: 1687430

DOI:: https://doi.org/10.17188/1687430

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                    The Materials Project. Materials Data on LiC12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1687430.

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                    The Materials Project. Materials Data on LiC12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1687430

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                    The Materials Project. 2020.  
"Materials Data on LiC12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1687430.  https://www.osti.gov/servlets/purl/1687430. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1687430,

  title        = {Materials Data on LiC12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiC12 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two LiC12 sheets oriented in the (0, 0, 1) direction. Li1+ is bonded in a cuboctahedral geometry to twelve C+0.08- atoms. All Li–C bond lengths are 2.37 Å. There are three inequivalent C+0.08- sites. In the first C+0.08- site, C+0.08- is bonded in a 4-coordinate geometry to one Li1+ and three C+0.08- atoms. There is two shorter (1.43 Å) and one longer (1.44 Å) C–C bond length. In the second C+0.08- site, C+0.08- is bonded in a 4-coordinate geometry to one Li1+ and three C+0.08- atoms. The C–C bond length is 1.43 Å. In the third C+0.08- site, C+0.08- is bonded in a 4-coordinate geometry to one Li1+ and three C+0.08- atoms. The C–C bond length is 1.44 Å.},

  doi          = {10.17188/1687430},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1687430

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