Materials Data on U(NO4)2 by Materials Project

doi:10.17188/1692808

Title: Materials Data on U(NO4)2 by Materials Project

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Abstract

UO2(NO3)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one hydrogen peroxide molecule and one U(NO3)2 cluster. In the U(NO3)2 cluster, U6+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (1.79 Å) and two longer (2.28 Å) U–O bond lengths. N5+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.21 Å) and one longer (1.34 Å) N–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one U6+ and one N5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one U6+ atom.

Publication Date:: 2018-07-18

Other Number(s):: mp-1103907

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; N-O-U; U(NO4)2; crystal structure

OSTI Identifier:: 1692808

DOI:: https://doi.org/10.17188/1692808

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                    Materials Data on U(NO4)2 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1692808.

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                    Materials Data on U(NO4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1692808

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                    2018.  
"Materials Data on U(NO4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1692808.  https://www.osti.gov/servlets/purl/1692808. Pub date:Wed Jul 18 00:00:00 EDT 2018

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@article{osti_1692808,

  title        = {Materials Data on U(NO4)2 by Materials Project},

  
  abstractNote = {UO2(NO3)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one hydrogen peroxide molecule and one U(NO3)2 cluster. In the U(NO3)2 cluster, U6+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (1.79 Å) and two longer (2.28 Å) U–O bond lengths. N5+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.21 Å) and one longer (1.34 Å) N–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one U6+ and one N5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one U6+ atom.},

  doi          = {10.17188/1692808},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1692808

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