Materials Data on NiCN2 by Materials Project

doi:10.17188/1273776

Title: Materials Data on NiCN2 by Materials Project

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Abstract

NiCN2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ni2+ is bonded to six equivalent N3- atoms to form edge-sharing NiN6 octahedra. All Ni–N bond lengths are 2.11 Å. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. N3- is bonded in a 4-coordinate geometry to three equivalent Ni2+ and one C4+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-567262

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; NiCN2; C-N-Ni

OSTI Identifier:: 1273776

DOI:: https://doi.org/10.17188/1273776

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                    The Materials Project. Materials Data on NiCN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1273776.

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                    The Materials Project. Materials Data on NiCN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1273776

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                    The Materials Project. 2020.  
"Materials Data on NiCN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1273776.  https://www.osti.gov/servlets/purl/1273776. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1273776,

  title        = {Materials Data on NiCN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NiCN2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ni2+ is bonded to six equivalent N3- atoms to form edge-sharing NiN6 octahedra. All Ni–N bond lengths are 2.11 Å. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.24 Å. N3- is bonded in a 4-coordinate geometry to three equivalent Ni2+ and one C4+ atom.},

  doi          = {10.17188/1273776},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1273776

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