Materials Data on LiCuCO3 by Materials Project

doi:10.17188/1288713

Title: Materials Data on LiCuCO3 by Materials Project

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Abstract

LiCuCO3 crystallizes in the orthorhombic Ibca space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.04 Å) and two longer (2.06 Å) Li–O bond lengths. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.86 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.28 Å) and one longer (1.33 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cu1+ and one C4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Li1+ and one C4+ atom.

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-752638

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; LiCuCO3; C-Cu-Li-O

OSTI Identifier:: 1288713

DOI:: https://doi.org/10.17188/1288713

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                    The Materials Project. Materials Data on LiCuCO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1288713.

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                    The Materials Project. Materials Data on LiCuCO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1288713

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                    The Materials Project. 2020.  
"Materials Data on LiCuCO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1288713.  https://www.osti.gov/servlets/purl/1288713. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1288713,

  title        = {Materials Data on LiCuCO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiCuCO3 crystallizes in the orthorhombic Ibca space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.04 Å) and two longer (2.06 Å) Li–O bond lengths. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.86 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.28 Å) and one longer (1.33 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cu1+ and one C4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Li1+ and one C4+ atom.},

  doi          = {10.17188/1288713},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1288713

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