Materials Data on NClOF4 by Materials Project

doi:10.17188/1269381

Title: Materials Data on NClOF4 by Materials Project

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Abstract

NOClF4 is Tetraauricupride structured and crystallizes in the tetragonal I4cm space group. The structure is zero-dimensional and consists of four nitroxyl molecules and four ClF4 clusters. In each ClF4 cluster, Cl is bonded in a rectangular see-saw-like geometry to four F atoms. There is two shorter (1.76 Å) and two longer (1.91 Å) Cl–F bond length. There are two inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Cl atom. In the second F site, F is bonded in a single-bond geometry to one Cl atom.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-556500

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; NClOF4; Cl-F-N-O

OSTI Identifier:: 1269381

DOI:: https://doi.org/10.17188/1269381

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                    The Materials Project. Materials Data on NClOF4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1269381.

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                    The Materials Project. Materials Data on NClOF4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1269381

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                    The Materials Project. 2020.  
"Materials Data on NClOF4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1269381.  https://www.osti.gov/servlets/purl/1269381. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1269381,

  title        = {Materials Data on NClOF4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NOClF4 is Tetraauricupride structured and crystallizes in the tetragonal I4cm space group. The structure is zero-dimensional and consists of four nitroxyl molecules and four ClF4 clusters. In each ClF4 cluster, Cl is bonded in a rectangular see-saw-like geometry to four F atoms. There is two shorter (1.76 Å) and two longer (1.91 Å) Cl–F bond length. There are two inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Cl atom. In the second F site, F is bonded in a single-bond geometry to one Cl atom.},

  doi          = {10.17188/1269381},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1269381

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