Materials Data on Sr2Cu(BrO)2 by Materials Project

doi:10.17188/1655377

Title: Materials Data on Sr2Cu(BrO)2 by Materials Project

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Abstract

Sr2CuO2Br2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sr2+ is bonded to four equivalent O2- and two equivalent Br1- atoms to form a mixture of distorted edge and corner-sharing SrBr2O4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sr–O bond lengths are 2.47 Å. Both Sr–Br bond lengths are 3.29 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent Br1- atoms. All Cu–Br bond lengths are 2.47 Å. O2- is bonded in a square co-planar geometry to four equivalent Sr2+ atoms. Br1- is bonded in a square co-planar geometry to two equivalent Sr2+ and two equivalent Cu2+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-1147556

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; Sr2Cu(BrO)2; Br-Cu-O-Sr

OSTI Identifier:: 1655377

DOI:: https://doi.org/10.17188/1655377

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                    The Materials Project. Materials Data on Sr2Cu(BrO)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1655377.

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                    The Materials Project. Materials Data on Sr2Cu(BrO)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1655377

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                    The Materials Project. 2020.  
"Materials Data on Sr2Cu(BrO)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1655377.  https://www.osti.gov/servlets/purl/1655377. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1655377,

  title        = {Materials Data on Sr2Cu(BrO)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr2CuO2Br2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sr2+ is bonded to four equivalent O2- and two equivalent Br1- atoms to form a mixture of distorted edge and corner-sharing SrBr2O4 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sr–O bond lengths are 2.47 Å. Both Sr–Br bond lengths are 3.29 Å. Cu2+ is bonded in a square co-planar geometry to four equivalent Br1- atoms. All Cu–Br bond lengths are 2.47 Å. O2- is bonded in a square co-planar geometry to four equivalent Sr2+ atoms. Br1- is bonded in a square co-planar geometry to two equivalent Sr2+ and two equivalent Cu2+ atoms.},

  doi          = {10.17188/1655377},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1655377

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