Materials Data on BaSr(CuO2)2 by Materials Project

doi:10.17188/1739009

Title: Materials Data on BaSr(CuO2)2 by Materials Project

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Abstract

BaSr(CuO2)2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. All Ba–O bond lengths are 2.79 Å. Sr2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Sr–O bond lengths are 2.63 Å. Cu2+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.99 Å. O2- is bonded to two equivalent Ba2+, two equivalent Sr2+, and two equivalent Cu2+ atoms to form a mixture of distorted corner, edge, and face-sharing OBa2Sr2Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–65°.

Publication Date:: Sun May 03 04:00:00 UTC 2020

Other Number(s):: mp-1206538

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; Ba-Cu-O-Sr; BaSr(CuO2)2; crystal structure

OSTI Identifier:: 1739009

DOI:: https://doi.org/10.17188/1739009

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                    Materials Data on BaSr(CuO2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1739009.

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                    Materials Data on BaSr(CuO2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1739009

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                    2020.  
"Materials Data on BaSr(CuO2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1739009.  https://www.osti.gov/servlets/purl/1739009. Pub date:Sun May 03 04:00:00 UTC 2020

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@article{osti_1739009,

  title        = {Materials Data on BaSr(CuO2)2 by Materials Project},

  
  abstractNote = {BaSr(CuO2)2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. All Ba–O bond lengths are 2.79 Å. Sr2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Sr–O bond lengths are 2.63 Å. Cu2+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.99 Å. O2- is bonded to two equivalent Ba2+, two equivalent Sr2+, and two equivalent Cu2+ atoms to form a mixture of distorted corner, edge, and face-sharing OBa2Sr2Cu2 octahedra. The corner-sharing octahedra tilt angles range from 0–65°.},

  doi          = {10.17188/1739009},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 04:00:00 UTC 2020},

  month        = {Sun May 03 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1739009

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