Materials Data on Li4CO4 by Materials Project

doi:10.17188/1267147

Title: Materials Data on Li4CO4 by Materials Project

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Abstract

Li4CO4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.05 Å) and three longer (2.20 Å) Li–O bond lengths. C4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All C–O bond lengths are 1.44 Å. O2- is bonded in a 1-coordinate geometry to six equivalent Li1+ and one C4+ atom.

Authors:: The Materials Project

Publication Date:: Mon Jul 24 00:00:00 EDT 2017

Other Number(s):: mp-546202

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; Li4CO4; C-Li-O

OSTI Identifier:: 1267147

DOI:: https://doi.org/10.17188/1267147

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                    The Materials Project. Materials Data on Li4CO4 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1267147.

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                    The Materials Project. Materials Data on Li4CO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1267147

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                    The Materials Project. 2017.  
"Materials Data on Li4CO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1267147.  https://www.osti.gov/servlets/purl/1267147. Pub date:Mon Jul 24 00:00:00 EDT 2017

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@article{osti_1267147,

  title        = {Materials Data on Li4CO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li4CO4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.05 Å) and three longer (2.20 Å) Li–O bond lengths. C4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All C–O bond lengths are 1.44 Å. O2- is bonded in a 1-coordinate geometry to six equivalent Li1+ and one C4+ atom.},

  doi          = {10.17188/1267147},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 24 00:00:00 EDT 2017},

  month        = {Mon Jul 24 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1267147

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Materials Data on Li4CO4 by Materials Project

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Li4CO4 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 2.06–2.42 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.84–1.88 Å. C4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of C–O bond distances ranging from 1.40–1.47 Å. There are threemore »« less
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