Materials Data on Ca(CuN)2 by Materials Project

doi:10.17188/1318885

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

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Abstract

Ca(CuN)2 crystallizes in the tetragonal P-4m2 space group. The structure is two-dimensional and consists of one Ca(CuN)2 sheet oriented in the (0, 0, 1) direction. Ca2+ is bonded to four equivalent N3- atoms to form corner-sharing CaN4 tetrahedra. All Ca–N bond lengths are 2.41 Å. Cu2+ is bonded in a linear geometry to two equivalent N3- atoms. Both Cu–N bond lengths are 1.81 Å. N3- is bonded in a rectangular see-saw-like geometry to two equivalent Ca2+ and two equivalent Cu2+ atoms.

Publication Date:: 2020-07-23

Other Number(s):: mvc-13426

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(CuN)2; Ca-Cu-N; crystal structure

OSTI Identifier:: 1318885

DOI:: https://doi.org/10.17188/1318885

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                    Materials Data on Ca(CuN)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1318885.

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                    Materials Data on Ca(CuN)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1318885

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                    2020.  
"Materials Data on Ca(CuN)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1318885.  https://www.osti.gov/servlets/purl/1318885. Pub date:Thu Jul 23 04:00:00 UTC 2020

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@article{osti_1318885,

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

  
  abstractNote = {Ca(CuN)2 crystallizes in the tetragonal P-4m2 space group. The structure is two-dimensional and consists of one Ca(CuN)2 sheet oriented in the (0, 0, 1) direction. Ca2+ is bonded to four equivalent N3- atoms to form corner-sharing CaN4 tetrahedra. All Ca–N bond lengths are 2.41 Å. Cu2+ is bonded in a linear geometry to two equivalent N3- atoms. Both Cu–N bond lengths are 1.81 Å. N3- is bonded in a rectangular see-saw-like geometry to two equivalent Ca2+ and two equivalent Cu2+ atoms.},

  doi          = {10.17188/1318885},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1318885

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