Materials Data on RbNiC2N2Cl by Materials Project

doi:10.17188/1665739

Title: Materials Data on RbNiC2N2Cl by Materials Project

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Abstract

NiRb2NiC4(N2Cl)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional and consists of two nickel molecules and one Rb2NiC4(N2Cl)2 framework. In the Rb2NiC4(N2Cl)2 framework, Rb1+ is bonded in a square co-planar geometry to four equivalent Cl1- atoms. All Rb–Cl bond lengths are 3.56 Å. Ni2+ is bonded in an octahedral geometry to four equivalent N3- and two equivalent Cl1- atoms. All Ni–N bond lengths are 2.00 Å. Both Ni–Cl bond lengths are 2.53 Å. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a linear geometry to one Ni2+ and one C2+ atom. Cl1- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and one Ni2+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-17

Other Number(s):: mp-1104285

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; RbNiC2N2Cl; C-Cl-N-Ni-Rb

OSTI Identifier:: 1665739

DOI:: https://doi.org/10.17188/1665739

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                    The Materials Project. Materials Data on RbNiC2N2Cl by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1665739.

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                    The Materials Project. Materials Data on RbNiC2N2Cl by Materials Project.  United States.  doi:https://doi.org/10.17188/1665739

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                    The Materials Project. 2020.  
"Materials Data on RbNiC2N2Cl by Materials Project".  United States.  doi:https://doi.org/10.17188/1665739.  https://www.osti.gov/servlets/purl/1665739. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1665739,

  title        = {Materials Data on RbNiC2N2Cl by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NiRb2NiC4(N2Cl)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional and consists of two nickel molecules and one Rb2NiC4(N2Cl)2 framework. In the Rb2NiC4(N2Cl)2 framework, Rb1+ is bonded in a square co-planar geometry to four equivalent Cl1- atoms. All Rb–Cl bond lengths are 3.56 Å. Ni2+ is bonded in an octahedral geometry to four equivalent N3- and two equivalent Cl1- atoms. All Ni–N bond lengths are 2.00 Å. Both Ni–Cl bond lengths are 2.53 Å. C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. N3- is bonded in a linear geometry to one Ni2+ and one C2+ atom. Cl1- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and one Ni2+ atom.},

  doi          = {10.17188/1665739},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1665739

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