Materials Data on Ca(Cu3O4)2 by Materials Project

doi:10.17188/1739425

Title: Materials Data on Ca(Cu3O4)2 by Materials Project

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Abstract

Ca(Cu3O4)2 crystallizes in the cubic Fm-3m 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 2.33 Å. Cu+2.33+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.92 Å. O2- is bonded to one Ca2+ and three equivalent Cu+2.33+ atoms to form a mixture of distorted edge and corner-sharing OCaCu3 trigonal pyramids.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1147677

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; Ca(Cu3O4)2; Ca-Cu-O

OSTI Identifier:: 1739425

DOI:: https://doi.org/10.17188/1739425

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                    The Materials Project. Materials Data on Ca(Cu3O4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1739425.

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                    The Materials Project. Materials Data on Ca(Cu3O4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1739425

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                    The Materials Project. 2020.  
"Materials Data on Ca(Cu3O4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1739425.  https://www.osti.gov/servlets/purl/1739425. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1739425,

  title        = {Materials Data on Ca(Cu3O4)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ca(Cu3O4)2 crystallizes in the cubic Fm-3m 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 2.33 Å. Cu+2.33+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.92 Å. O2- is bonded to one Ca2+ and three equivalent Cu+2.33+ atoms to form a mixture of distorted edge and corner-sharing OCaCu3 trigonal pyramids.},

  doi          = {10.17188/1739425},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1739425

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