Materials Data on NiNCl3 by Materials Project

doi:10.17188/1677857

Title: Materials Data on NiNCl3 by Materials Project

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Abstract

(NiCl3)2N2 crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of two ammonia molecules and one NiCl3 ribbon oriented in the (0, 0, 1) direction. In the NiCl3 ribbon, Ni2+ is bonded to six equivalent Cl1- atoms to form face-sharing NiCl6 octahedra. All Ni–Cl bond lengths are 2.28 Å. Cl1- is bonded in a distorted L-shaped geometry to two equivalent Ni2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1205931

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; NiNCl3; Cl-N-Ni

OSTI Identifier:: 1677857

DOI:: https://doi.org/10.17188/1677857

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                    The Materials Project. Materials Data on NiNCl3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1677857.

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                    The Materials Project. Materials Data on NiNCl3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1677857

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                    The Materials Project. 2020.  
"Materials Data on NiNCl3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1677857.  https://www.osti.gov/servlets/purl/1677857. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1677857,

  title        = {Materials Data on NiNCl3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(NiCl3)2N2 crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of two ammonia molecules and one NiCl3 ribbon oriented in the (0, 0, 1) direction. In the NiCl3 ribbon, Ni2+ is bonded to six equivalent Cl1- atoms to form face-sharing NiCl6 octahedra. All Ni–Cl bond lengths are 2.28 Å. Cl1- is bonded in a distorted L-shaped geometry to two equivalent Ni2+ atoms.},

  doi          = {10.17188/1677857},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1677857

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