Materials Data on VN2(Cl3O)2 by Materials Project

doi:10.17188/1279271

Title: Materials Data on VN2(Cl3O)2 by Materials Project

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Abstract

VCl6(NO)2 is Fluorite structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four nitroxyl molecules and two VCl6 clusters. In each VCl6 cluster, V4+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of V–Cl bond distances ranging from 2.25–2.38 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one V4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one V4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one V4+ atom.

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-631589

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-N-O-V; VN2(Cl3O)2; crystal structure

OSTI Identifier:: 1279271

DOI:: https://doi.org/10.17188/1279271

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                    Materials Data on VN2(Cl3O)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1279271.

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                    Materials Data on VN2(Cl3O)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1279271

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                    2020.  
"Materials Data on VN2(Cl3O)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1279271.  https://www.osti.gov/servlets/purl/1279271. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1279271,

  title        = {Materials Data on VN2(Cl3O)2 by Materials Project},

  
  abstractNote = {VCl6(NO)2 is Fluorite structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four nitroxyl molecules and two VCl6 clusters. In each VCl6 cluster, V4+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of V–Cl bond distances ranging from 2.25–2.38 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one V4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one V4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one V4+ atom.},

  doi          = {10.17188/1279271},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1279271

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