Materials Data on CuO2 by Materials Project

doi:10.17188/1285937

Title: Materials Data on CuO2 by Materials Project

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Abstract

CuO2 is Cyanogen Chloride-derived structured and crystallizes in the orthorhombic Pmmm space group. The structure is one-dimensional and consists of one hydrogen peroxide molecule and one Cu ribbon oriented in the (1, 0, 0) direction. In the Cu ribbon, Cu is bonded in a distorted linear geometry to two equivalent Cu atoms. Both Cu–Cu bond lengths are 2.42 Å.

Publication Date:: 2020-07-16

Other Number(s):: mp-705439

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Cu-O; CuO2; crystal structure

OSTI Identifier:: 1285937

DOI:: https://doi.org/10.17188/1285937

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                    Materials Data on CuO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1285937.

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                    Materials Data on CuO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1285937

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                    2020.  
"Materials Data on CuO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1285937.  https://www.osti.gov/servlets/purl/1285937. Pub date:Thu Jul 16 04:00:00 UTC 2020

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@article{osti_1285937,

  title        = {Materials Data on CuO2 by Materials Project},

  
  abstractNote = {CuO2 is Cyanogen Chloride-derived structured and crystallizes in the orthorhombic Pmmm space group. The structure is one-dimensional and consists of one hydrogen peroxide molecule and one Cu ribbon oriented in the (1, 0, 0) direction. In the Cu ribbon, Cu is bonded in a distorted linear geometry to two equivalent Cu atoms. Both Cu–Cu bond lengths are 2.42 Å.},

  doi          = {10.17188/1285937},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1285937

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Materials Data on CuO2 by Materials Project

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CuO2 is trigonal omega-like structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cu is bonded to six equivalent O atoms to form edge-sharing CuO6 octahedra. All Cu–O bond lengths are 1.94 Å. O is bonded in a distorted T-shaped geometry to three equivalent Cu atoms.
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CuO2 crystallizes in the orthorhombic Fmmm space group. The structure is one-dimensional and consists of four CuO2 ribbons oriented in the (1, 0, 0) direction. Cu is bonded in a square co-planar geometry to four equivalent O atoms. All Cu–O bond lengths are 1.80 Å. O is bonded in a water-like geometry to two equivalent Cu atoms.
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Materials Data on CuO2 by Materials Project

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CuO2 crystallizes in the orthorhombic Fmmm space group. The structure is one-dimensional and consists of four CuO2 ribbons oriented in the (1, 0, 0) direction. Cu is bonded in a square co-planar geometry to four equivalent O atoms. All Cu–O bond lengths are 1.81 Å. O is bonded in a water-like geometry to two equivalent Cu atoms.

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