Materials Data on H12C4IN(OF)2 by Materials Project

doi:10.17188/1738148

Title: Materials Data on H12C4IN(OF)2 by Materials Project

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Abstract

N(CH3)4I(OF)2 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four tetramethylammonium molecules and four I(OF)2 clusters. In each I(OF)2 cluster, there are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one I1- atom. The O–I bond length is 1.80 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one I1- atom. The O–I bond length is 1.80 Å. I1- is bonded in a see-saw-like geometry to two O2- and two equivalent F1- atoms. Both I–F bond lengths are 2.06 Å. F1- is bonded in a single-bond geometry to one I1- atom.

Publication Date:: 2020-05-02

Other Number(s):: mp-1195695

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; C-F-H-I-N-O; H12C4IN(OF)2; crystal structure

OSTI Identifier:: 1738148

DOI:: https://doi.org/10.17188/1738148

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                    Materials Data on H12C4IN(OF)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1738148.

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                    Materials Data on H12C4IN(OF)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1738148

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                    2020.  
"Materials Data on H12C4IN(OF)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1738148.  https://www.osti.gov/servlets/purl/1738148. Pub date:Sat May 02 04:00:00 UTC 2020

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@article{osti_1738148,

  title        = {Materials Data on H12C4IN(OF)2 by Materials Project},

  
  abstractNote = {N(CH3)4I(OF)2 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four tetramethylammonium molecules and four I(OF)2 clusters. In each I(OF)2 cluster, there are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one I1- atom. The O–I bond length is 1.80 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one I1- atom. The O–I bond length is 1.80 Å. I1- is bonded in a see-saw-like geometry to two O2- and two equivalent F1- atoms. Both I–F bond lengths are 2.06 Å. F1- is bonded in a single-bond geometry to one I1- atom.},

  doi          = {10.17188/1738148},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1738148

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