Materials Data on XeN2(OF4)2 by Materials Project

doi:10.17188/1199597

Title: Materials Data on XeN2(OF4)2 by Materials Project

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Abstract

XeF8(NO)2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight nitroxyl molecules and four XeF8 clusters. In each XeF8 cluster, Xe is bonded in a 8-coordinate geometry to eight F atoms. There are a spread of Xe–F bond distances ranging from 2.05–2.31 Å. There are five inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Xe atom. In the second F site, F is bonded in a single-bond geometry to one Xe atom. In the third F site, F is bonded in a single-bond geometry to one Xe atom. In the fourth F site, F is bonded in a single-bond geometry to one Xe atom. In the fifth F site, F is bonded in a single-bond geometry to one Xe atom.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-23568

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; XeN2(OF4)2; F-N-O-Xe

OSTI Identifier:: 1199597

DOI:: https://doi.org/10.17188/1199597

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                    The Materials Project. Materials Data on XeN2(OF4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199597.

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                    The Materials Project. Materials Data on XeN2(OF4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199597

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                    The Materials Project. 2020.  
"Materials Data on XeN2(OF4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199597.  https://www.osti.gov/servlets/purl/1199597. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1199597,

  title        = {Materials Data on XeN2(OF4)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {XeF8(NO)2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight nitroxyl molecules and four XeF8 clusters. In each XeF8 cluster, Xe is bonded in a 8-coordinate geometry to eight F atoms. There are a spread of Xe–F bond distances ranging from 2.05–2.31 Å. There are five inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Xe atom. In the second F site, F is bonded in a single-bond geometry to one Xe atom. In the third F site, F is bonded in a single-bond geometry to one Xe atom. In the fourth F site, F is bonded in a single-bond geometry to one Xe atom. In the fifth F site, F is bonded in a single-bond geometry to one Xe atom.},

  doi          = {10.17188/1199597},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1199597

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