Materials Data on NpH16C4N8ClO6 by Materials Project

doi:10.17188/1285289

Title: Materials Data on NpH16C4N8ClO6 by Materials Project

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Abstract

NpO2Cl(CO(NH2)2)4 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of sixteen urea molecules and four NpO2Cl clusters. In each NpO2Cl cluster, Np5+ is bonded in a distorted linear geometry to two equivalent O2- and one Cl1- atom. Both Np–O bond lengths are 1.86 Å. The Np–Cl bond length is 2.89 Å. O2- is bonded in a single-bond geometry to one Np5+ atom. Cl1- is bonded in a distorted single-bond geometry to one Np5+ atom.

Publication Date:: 2017-07-21

Other Number(s):: mp-698125

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-Cl-H-N-Np-O; NpH16C4N8ClO6; crystal structure

OSTI Identifier:: 1285289

DOI:: https://doi.org/10.17188/1285289

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                    Materials Data on NpH16C4N8ClO6 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1285289.

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                    Materials Data on NpH16C4N8ClO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1285289

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                    2017.  
"Materials Data on NpH16C4N8ClO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1285289.  https://www.osti.gov/servlets/purl/1285289. Pub date:Fri Jul 21 04:00:00 UTC 2017

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@article{osti_1285289,

  title        = {Materials Data on NpH16C4N8ClO6 by Materials Project},

  
  abstractNote = {NpO2Cl(CO(NH2)2)4 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of sixteen urea molecules and four NpO2Cl clusters. In each NpO2Cl cluster, Np5+ is bonded in a distorted linear geometry to two equivalent O2- and one Cl1- atom. Both Np–O bond lengths are 1.86 Å. The Np–Cl bond length is 2.89 Å. O2- is bonded in a single-bond geometry to one Np5+ atom. Cl1- is bonded in a distorted single-bond geometry to one Np5+ atom.},

  doi          = {10.17188/1285289},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1285289

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