Materials Data on Li2CuCO4 by Materials Project

doi:10.17188/1290860

Title: Materials Data on Li2CuCO4 by Materials Project

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Abstract

Li2CuCO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.93–2.01 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.90–2.22 Å. Cu2+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There are a spread of Cu–O bond distances ranging from 1.82–1.97 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.28–1.31 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Li1+ and one C4+ atom to form distorted OLi3C tetrahedra that share corners with three OLi3C tetrahedra and an edgeedge with one OLi2Cu2 tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Li1+ and one C4+ atom. In the third O2- site, O2-more »« less

Authors:: The Materials Project

Publication Date:: 2020-05-01

Other Number(s):: mp-757660

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; Li2CuCO4; C-Cu-Li-O

OSTI Identifier:: 1290860

DOI:: https://doi.org/10.17188/1290860

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                    The Materials Project. Materials Data on Li2CuCO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1290860.

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                    The Materials Project. Materials Data on Li2CuCO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1290860

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                    The Materials Project. 2020.  
"Materials Data on Li2CuCO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1290860.  https://www.osti.gov/servlets/purl/1290860. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1290860,

  title        = {Materials Data on Li2CuCO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li2CuCO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.93–2.01 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing LiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.90–2.22 Å. Cu2+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There are a spread of Cu–O bond distances ranging from 1.82–1.97 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.28–1.31 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Li1+ and one C4+ atom to form distorted OLi3C tetrahedra that share corners with three OLi3C tetrahedra and an edgeedge with one OLi2Cu2 tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two Li1+ and one C4+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one Cu2+, and one C4+ atom. In the fourth O2- site, O2- is bonded to two Li1+ and two equivalent Cu2+ atoms to form a mixture of edge and corner-sharing OLi2Cu2 tetrahedra.},

  doi          = {10.17188/1290860},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1290860

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