Materials Data on Ca2CoN2 by Materials Project

doi:10.17188/1713381

Title: Materials Data on Ca2CoN2 by Materials Project

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Abstract

Ca2CoN2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca2+ is bonded to five equivalent N3- atoms to form a mixture of corner and edge-sharing CaN5 square pyramids. There are one shorter (2.49 Å) and four longer (2.52 Å) Ca–N bond lengths. Co2+ is bonded in a linear geometry to two equivalent N3- atoms. Both Co–N bond lengths are 1.76 Å. N3- is bonded to five equivalent Ca2+ and one Co2+ atom to form a mixture of corner and edge-sharing NCa5Co octahedra. The corner-sharing octahedra tilt angles range from 0–4°.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1029532

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; Ca2CoN2; Ca-Co-N

OSTI Identifier:: 1713381

DOI:: https://doi.org/10.17188/1713381

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                    The Materials Project. Materials Data on Ca2CoN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1713381.

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                    The Materials Project. Materials Data on Ca2CoN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1713381

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                    The Materials Project. 2020.  
"Materials Data on Ca2CoN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1713381.  https://www.osti.gov/servlets/purl/1713381. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1713381,

  title        = {Materials Data on Ca2CoN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ca2CoN2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca2+ is bonded to five equivalent N3- atoms to form a mixture of corner and edge-sharing CaN5 square pyramids. There are one shorter (2.49 Å) and four longer (2.52 Å) Ca–N bond lengths. Co2+ is bonded in a linear geometry to two equivalent N3- atoms. Both Co–N bond lengths are 1.76 Å. N3- is bonded to five equivalent Ca2+ and one Co2+ atom to form a mixture of corner and edge-sharing NCa5Co octahedra. The corner-sharing octahedra tilt angles range from 0–4°.},

  doi          = {10.17188/1713381},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1713381

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