Materials Data on ZnH8(N2Cl)2 by Materials Project

doi:10.17188/1279339

Title: Materials Data on ZnH8(N2Cl)2 by Materials Project

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Abstract

ZnH8(N2Cl)2 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two ZnH8(N2Cl)2 clusters. Zn2+ is bonded in an octahedral geometry to four equivalent N2- and two equivalent Cl1- atoms. All Zn–N bond lengths are 2.20 Å. Both Zn–Cl bond lengths are 2.57 Å. N2- is bonded in a distorted water-like geometry to one Zn2+ and two H1+ atoms. Both N–H bond lengths are 1.03 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. Cl1- is bonded in a single-bond geometry to one Zn2+ atom.

Publication Date:: Thu Jul 16 04:00:00 UTC 2020

Other Number(s):: mp-632706

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Cl-H-N-Zn; ZnH8(N2Cl)2; crystal structure

OSTI Identifier:: 1279339

DOI:: https://doi.org/10.17188/1279339

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                    Materials Data on ZnH8(N2Cl)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1279339.

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                    Materials Data on ZnH8(N2Cl)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1279339

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                    2020.  
"Materials Data on ZnH8(N2Cl)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1279339.  https://www.osti.gov/servlets/purl/1279339. Pub date:Thu Jul 16 04:00:00 UTC 2020

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@article{osti_1279339,

  title        = {Materials Data on ZnH8(N2Cl)2 by Materials Project},

  
  abstractNote = {ZnH8(N2Cl)2 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two ZnH8(N2Cl)2 clusters. Zn2+ is bonded in an octahedral geometry to four equivalent N2- and two equivalent Cl1- atoms. All Zn–N bond lengths are 2.20 Å. Both Zn–Cl bond lengths are 2.57 Å. N2- is bonded in a distorted water-like geometry to one Zn2+ and two H1+ atoms. Both N–H bond lengths are 1.03 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. Cl1- is bonded in a single-bond geometry to one Zn2+ atom.},

  doi          = {10.17188/1279339},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 04:00:00 UTC 2020},

  month        = {Thu Jul 16 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1279339

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