Materials Data on CaCuO2 by Materials Project

doi:10.17188/1208429

Title: Materials Data on CaCuO2 by Materials Project

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Abstract

CaCuO2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ca2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ca–O bond lengths are 2.52 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.94 Å. O2- is bonded to four equivalent Ca2+ and two equivalent Cu2+ atoms to form a mixture of face, edge, and corner-sharing OCa4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–66°.

Publication Date:: 2020-07-14

Other Number(s):: mp-4826

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; Ca-Cu-O; CaCuO2; crystal structure

OSTI Identifier:: 1208429

DOI:: https://doi.org/10.17188/1208429

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                    Materials Data on CaCuO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1208429.

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                    Materials Data on CaCuO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1208429

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                    2020.  
"Materials Data on CaCuO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1208429.  https://www.osti.gov/servlets/purl/1208429. Pub date:Tue Jul 14 04:00:00 UTC 2020

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@article{osti_1208429,

  title        = {Materials Data on CaCuO2 by Materials Project},

  
  abstractNote = {CaCuO2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ca2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ca–O bond lengths are 2.52 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.94 Å. O2- is bonded to four equivalent Ca2+ and two equivalent Cu2+ atoms to form a mixture of face, edge, and corner-sharing OCa4Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–66°.},

  doi          = {10.17188/1208429},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1208429

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