Materials Data on UBr4(NO2)2 by Materials Project

doi:10.17188/1721236

Title: Materials Data on UBr4(NO2)2 by Materials Project

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Abstract

U(O2Br)2(BrN)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two bromamine molecules and one U(O2Br)2 cluster. In the U(O2Br)2 cluster, U6+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.80 Å) and two longer (2.19 Å) U–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one U6+ and one Br2+ atom. The O–Br bond length is 1.82 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. Br2+ is bonded in a single-bond geometry to one O2- atom.

Authors:: The Materials Project

Publication Date:: Wed Jul 18 00:00:00 EDT 2018

Other Number(s):: mp-1103931

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; UBr4(NO2)2; Br-N-O-U

OSTI Identifier:: 1721236

DOI:: https://doi.org/10.17188/1721236

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                    The Materials Project. Materials Data on UBr4(NO2)2 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1721236.

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                    The Materials Project. Materials Data on UBr4(NO2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1721236

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                    The Materials Project. 2018.  
"Materials Data on UBr4(NO2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1721236.  https://www.osti.gov/servlets/purl/1721236. Pub date:Wed Jul 18 00:00:00 EDT 2018

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@article{osti_1721236,

  title        = {Materials Data on UBr4(NO2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {U(O2Br)2(BrN)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two bromamine molecules and one U(O2Br)2 cluster. In the U(O2Br)2 cluster, U6+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.80 Å) and two longer (2.19 Å) U–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one U6+ and one Br2+ atom. The O–Br bond length is 1.82 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. Br2+ is bonded in a single-bond geometry to one O2- atom.},

  doi          = {10.17188/1721236},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 18 00:00:00 EDT 2018},

  month        = {Wed Jul 18 00:00:00 EDT 2018}

}

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DOI: https://doi.org/10.17188/1721236

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