Materials Data on Cu(CO2)2 by Materials Project

doi:10.17188/1683237

Title: Materials Data on Cu(CO2)2 by Materials Project

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Abstract

CuC2O4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cu2+ is bonded to six O2- atoms to form edge-sharing CuO6 octahedra. There are a spread of Cu–O bond distances ranging from 2.11–2.58 Å. C3+ is bonded in a bent 150 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.22 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Cu2+ and one C3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Cu2+ and one C3+ atom.

Authors:: The Materials Project

Publication Date:: 2018-07-18

Other Number(s):: mp-1104057

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; Cu(CO2)2; C-Cu-O

OSTI Identifier:: 1683237

DOI:: https://doi.org/10.17188/1683237

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                    The Materials Project. Materials Data on Cu(CO2)2 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1683237.

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                    The Materials Project. Materials Data on Cu(CO2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1683237

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                    The Materials Project. 2018.  
"Materials Data on Cu(CO2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1683237.  https://www.osti.gov/servlets/purl/1683237. Pub date:Wed Jul 18 00:00:00 EDT 2018

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@article{osti_1683237,

  title        = {Materials Data on Cu(CO2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CuC2O4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cu2+ is bonded to six O2- atoms to form edge-sharing CuO6 octahedra. There are a spread of Cu–O bond distances ranging from 2.11–2.58 Å. C3+ is bonded in a bent 150 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.22 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Cu2+ and one C3+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Cu2+ and one C3+ atom.},

  doi          = {10.17188/1683237},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1683237

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