Materials Data on Ni(N3Cl)2 by Materials Project

doi:10.17188/1682721

Title: Materials Data on Ni(N3Cl)2 by Materials Project

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Abstract

Ni(N3Cl)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ni4+ is bonded to six equivalent N+0.33- atoms to form NiN6 octahedra that share faces with eight equivalent ClN12 cuboctahedra. All Ni–N bond lengths are 1.83 Å. N+0.33- is bonded in a single-bond geometry to one Ni4+ and four equivalent Cl1- atoms. All N–Cl bond lengths are 2.76 Å. Cl1- is bonded to twelve equivalent N+0.33- atoms to form ClN12 cuboctahedra that share corners with twelve equivalent ClN12 cuboctahedra, faces with six equivalent ClN12 cuboctahedra, and faces with four equivalent NiN6 octahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1084748

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; Ni(N3Cl)2; Cl-N-Ni

OSTI Identifier:: 1682721

DOI:: https://doi.org/10.17188/1682721

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                    The Materials Project. Materials Data on Ni(N3Cl)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1682721.

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                    The Materials Project. Materials Data on Ni(N3Cl)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1682721

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                    The Materials Project. 2020.  
"Materials Data on Ni(N3Cl)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1682721.  https://www.osti.gov/servlets/purl/1682721. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1682721,

  title        = {Materials Data on Ni(N3Cl)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ni(N3Cl)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ni4+ is bonded to six equivalent N+0.33- atoms to form NiN6 octahedra that share faces with eight equivalent ClN12 cuboctahedra. All Ni–N bond lengths are 1.83 Å. N+0.33- is bonded in a single-bond geometry to one Ni4+ and four equivalent Cl1- atoms. All N–Cl bond lengths are 2.76 Å. Cl1- is bonded to twelve equivalent N+0.33- atoms to form ClN12 cuboctahedra that share corners with twelve equivalent ClN12 cuboctahedra, faces with six equivalent ClN12 cuboctahedra, and faces with four equivalent NiN6 octahedra.},

  doi          = {10.17188/1682721},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1682721

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