Materials Data on CuBr4(NO)2 by Materials Project

doi:10.17188/1684565

Title: Materials Data on CuBr4(NO)2 by Materials Project

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Abstract

Cu(OBr)2N2(Br)2 crystallizes in the tetragonal P4_2/mnm space group. The structure is one-dimensional and consists of four hydrobromic acid molecules; two Cu(OBr)2 ribbons oriented in the (0, 0, 1) direction; and two N2 ribbons oriented in the (0, 0, 1) direction. In each Cu(OBr)2 ribbon, Cu2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.86 Å. O2- is bonded in a distorted trigonal planar geometry to one Cu2+ and two equivalent Br2+ atoms. Both O–Br bond lengths are 2.09 Å. Br2+ is bonded in a 2-coordinate geometry to two equivalent O2- atoms. In each N2 ribbon, N3- is bonded in a linear geometry to two equivalent N3- atoms. Both N–N bond lengths are 3.08 Å.

Publication Date:: 2020-04-30

Other Number(s):: mp-1213405

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-Cu-N-O; CuBr4(NO)2; crystal structure

OSTI Identifier:: 1684565

DOI:: https://doi.org/10.17188/1684565

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                    Materials Data on CuBr4(NO)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1684565.

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                    Materials Data on CuBr4(NO)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1684565

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                    2020.  
"Materials Data on CuBr4(NO)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1684565.  https://www.osti.gov/servlets/purl/1684565. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1684565,

  title        = {Materials Data on CuBr4(NO)2 by Materials Project},

  
  abstractNote = {Cu(OBr)2N2(Br)2 crystallizes in the tetragonal P4_2/mnm space group. The structure is one-dimensional and consists of four hydrobromic acid molecules; two Cu(OBr)2 ribbons oriented in the (0, 0, 1) direction; and two N2 ribbons oriented in the (0, 0, 1) direction. In each Cu(OBr)2 ribbon, Cu2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.86 Å. O2- is bonded in a distorted trigonal planar geometry to one Cu2+ and two equivalent Br2+ atoms. Both O–Br bond lengths are 2.09 Å. Br2+ is bonded in a 2-coordinate geometry to two equivalent O2- atoms. In each N2 ribbon, N3- is bonded in a linear geometry to two equivalent N3- atoms. Both N–N bond lengths are 3.08 Å.},

  doi          = {10.17188/1684565},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1684565

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