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.

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-28460

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; Br2O; Br-O

OSTI Identifier:: 1202562

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

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

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

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                    The Materials Project. 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 00:00:00 EDT 2020

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@article{osti_1202562,

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

  author       = {The 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         = {2020},

  month        = {7}

}

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

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