Materials Data on CaNiN by Materials Project

doi:10.17188/1202730

Title: Materials Data on CaNiN by Materials Project

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Abstract

CaNiN crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Ca2+ is bonded to four equivalent N3- atoms to form a mixture of distorted edge and corner-sharing CaN4 tetrahedra. All Ca–N bond lengths are 2.51 Å. Ni1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Ni–N bond lengths are 1.78 Å. N3- is bonded to four equivalent Ca2+ and two equivalent Ni1+ atoms to form a mixture of edge and corner-sharing NCa4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-28645

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; CaNiN; Ca-N-Ni

OSTI Identifier:: 1202730

DOI:: https://doi.org/10.17188/1202730

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                    The Materials Project. Materials Data on CaNiN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202730.

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                    The Materials Project. Materials Data on CaNiN by Materials Project.  United States.  doi:https://doi.org/10.17188/1202730

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                    The Materials Project. 2020.  
"Materials Data on CaNiN by Materials Project".  United States.  doi:https://doi.org/10.17188/1202730.  https://www.osti.gov/servlets/purl/1202730. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1202730,

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

  author       = {The Materials Project},

  abstractNote = {CaNiN crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Ca2+ is bonded to four equivalent N3- atoms to form a mixture of distorted edge and corner-sharing CaN4 tetrahedra. All Ca–N bond lengths are 2.51 Å. Ni1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Ni–N bond lengths are 1.78 Å. N3- is bonded to four equivalent Ca2+ and two equivalent Ni1+ atoms to form a mixture of edge and corner-sharing NCa4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},

  doi          = {10.17188/1202730},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1202730

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