Materials Data on BaCeO3 by Materials Project

doi:10.17188/1272884

Title: Materials Data on BaCeO3 by Materials Project

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Abstract

BaCeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent CeO6 octahedra. All Ba–O bond lengths are 3.16 Å. Ce4+ is bonded to six equivalent O2- atoms to form CeO6 octahedra that share corners with six equivalent CeO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–O bond lengths are 2.24 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+ and two equivalent Ce4+ atoms.

Publication Date:: 2020-05-03

Other Number(s):: mp-5663

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-Ce-O; BaCeO3; crystal structure

OSTI Identifier:: 1272884

DOI:: https://doi.org/10.17188/1272884

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                    Materials Data on BaCeO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1272884.

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                    Materials Data on BaCeO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1272884

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                    2020.  
"Materials Data on BaCeO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1272884.  https://www.osti.gov/servlets/purl/1272884. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1272884,

  title        = {Materials Data on BaCeO3 by Materials Project},

  
  abstractNote = {BaCeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent CeO6 octahedra. All Ba–O bond lengths are 3.16 Å. Ce4+ is bonded to six equivalent O2- atoms to form CeO6 octahedra that share corners with six equivalent CeO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–O bond lengths are 2.24 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+ and two equivalent Ce4+ atoms.},

  doi          = {10.17188/1272884},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1272884

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