Materials Data on Br2O by Materials Project

doi:10.17188/1202562

Title: Materials Data on Br2O by Materials Project

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Abstract

OBr2 is High Pressure (4-7GPa) Tellurium structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four bromoether molecules. O is bonded in a bent 120 degrees geometry to two Br atoms. There is one shorter (1.87 Å) and one longer (1.98 Å) O–Br bond length. There are two inequivalent Br sites. In the first Br site, Br is bonded in a single-bond geometry to one O atom. In the second Br site, Br is bonded in a single-bond geometry to one O atom.

Publication Date:: Sat Jul 18 04:00:00 UTC 2020

Other Number(s):: mp-28460

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; Br-O; Br2O; crystal structure

OSTI Identifier:: 1202562

DOI:: https://doi.org/10.17188/1202562

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                    Materials Data on Br2O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202562.

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                    Materials Data on Br2O by Materials Project.  United States.  doi:https://doi.org/10.17188/1202562

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                    2020.  
"Materials Data on Br2O by Materials Project".  United States.  doi:https://doi.org/10.17188/1202562.  https://www.osti.gov/servlets/purl/1202562. Pub date:Sat Jul 18 04:00:00 UTC 2020

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@article{osti_1202562,

  title        = {Materials Data on Br2O by Materials Project},

  
  abstractNote = {OBr2 is High Pressure (4-7GPa) Tellurium structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four bromoether molecules. O is bonded in a bent 120 degrees geometry to two Br atoms. There is one shorter (1.87 Å) and one longer (1.98 Å) O–Br bond length. There are two inequivalent Br sites. In the first Br site, Br is bonded in a single-bond geometry to one O atom. In the second Br site, Br is bonded in a single-bond geometry to one O atom.},

  doi          = {10.17188/1202562},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 04:00:00 UTC 2020},

  month        = {Sat Jul 18 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1202562

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