Materials Data on Ni4N3 by Materials Project

doi:10.17188/1715122

Title: Materials Data on Ni4N3 by Materials Project

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Abstract

Ni4N3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. there are two inequivalent Ni+2.25+ sites. In the first Ni+2.25+ site, Ni+2.25+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Ni–N bond lengths are 1.98 Å. In the second Ni+2.25+ site, Ni+2.25+ is bonded to six equivalent N3- atoms to form corner-sharing NiN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–N bond lengths are 1.98 Å. N3- is bonded to six Ni+2.25+ atoms to form a mixture of edge and corner-sharing NNi6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1094084

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; Ni4N3; N-Ni

OSTI Identifier:: 1715122

DOI:: https://doi.org/10.17188/1715122

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                    The Materials Project. Materials Data on Ni4N3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1715122.

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                    The Materials Project. Materials Data on Ni4N3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1715122

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                    The Materials Project. 2020.  
"Materials Data on Ni4N3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1715122.  https://www.osti.gov/servlets/purl/1715122. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1715122,

  title        = {Materials Data on Ni4N3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ni4N3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. there are two inequivalent Ni+2.25+ sites. In the first Ni+2.25+ site, Ni+2.25+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Ni–N bond lengths are 1.98 Å. In the second Ni+2.25+ site, Ni+2.25+ is bonded to six equivalent N3- atoms to form corner-sharing NiN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–N bond lengths are 1.98 Å. N3- is bonded to six Ni+2.25+ atoms to form a mixture of edge and corner-sharing NNi6 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1715122},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1715122

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