Materials Data on WN2(OF4)2 by Materials Project

doi:10.17188/1676298

Title: Materials Data on WN2(OF4)2 by Materials Project

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Abstract

WF8(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 WF8 clusters. In each WF8 cluster, W6+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of W–F bond distances ranging from 1.95–2.01 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one W6+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one W6+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one W6+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one W6+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one W6+ atom.

Authors:: The Materials Project

Publication Date:: Fri Nov 15 00:00:00 EST 2019

Other Number(s):: mp-1198604

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; WN2(OF4)2; F-N-O-W

OSTI Identifier:: 1676298

DOI:: https://doi.org/10.17188/1676298

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                    The Materials Project. Materials Data on WN2(OF4)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1676298.

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                    The Materials Project. Materials Data on WN2(OF4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1676298

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                    The Materials Project. 2019.  
"Materials Data on WN2(OF4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1676298.  https://www.osti.gov/servlets/purl/1676298. Pub date:Fri Nov 15 00:00:00 EST 2019

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@article{osti_1676298,

  title        = {Materials Data on WN2(OF4)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {WF8(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 WF8 clusters. In each WF8 cluster, W6+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of W–F bond distances ranging from 1.95–2.01 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one W6+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one W6+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one W6+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one W6+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one W6+ atom.},

  doi          = {10.17188/1676298},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Nov 15 00:00:00 EST 2019},

  month        = {Fri Nov 15 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1676298

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