Materials Data on Y(CuO2)3 by Materials Project

doi:10.17188/1323186

Title: Materials Data on Y(CuO2)3 by Materials Project

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Abstract

(CuO2)(Y)(CuO2)CuO2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two copper(ii) hydroxide molecules and one (CuO2)(Y)(CuO2) sheet oriented in the (0, 0, 1) direction. In the (CuO2)(Y)(CuO2) sheet, Y3+ is bonded to six O2- atoms to form edge-sharing YO6 octahedra. All Y–O bond lengths are 2.27 Å. Cu3+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.70 Å) and one longer (1.74 Å) Cu–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 Y3+ and one Cu3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Cu3+ atom.

Publication Date:: Wed Jul 22 04:00:00 UTC 2020

Other Number(s):: mvc-878

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-Y; Y(CuO2)3; crystal structure

OSTI Identifier:: 1323186

DOI:: https://doi.org/10.17188/1323186

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                    Materials Data on Y(CuO2)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1323186.

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                    Materials Data on Y(CuO2)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1323186

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                    2020.  
"Materials Data on Y(CuO2)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1323186.  https://www.osti.gov/servlets/purl/1323186. Pub date:Wed Jul 22 04:00:00 UTC 2020

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@article{osti_1323186,

  title        = {Materials Data on Y(CuO2)3 by Materials Project},

  
  abstractNote = {(CuO2)(Y)(CuO2)CuO2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two copper(ii) hydroxide molecules and one (CuO2)(Y)(CuO2) sheet oriented in the (0, 0, 1) direction. In the (CuO2)(Y)(CuO2) sheet, Y3+ is bonded to six O2- atoms to form edge-sharing YO6 octahedra. All Y–O bond lengths are 2.27 Å. Cu3+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.70 Å) and one longer (1.74 Å) Cu–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 Y3+ and one Cu3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Cu3+ atom.},

  doi          = {10.17188/1323186},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 04:00:00 UTC 2020},

  month        = {Wed Jul 22 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1323186

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