Materials Data on BaPbO3 by Materials Project

doi:10.17188/1196592

Title: Materials Data on BaPbO3 by Materials Project

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Abstract

BaPbO3 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 PbO6 octahedra. All Ba–O bond lengths are 3.08 Å. Pb4+ is bonded to six equivalent O2- atoms to form PbO6 octahedra that share corners with six equivalent PbO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pb–O bond lengths are 2.18 Å. O2- is bonded to four equivalent Ba2+ and two equivalent Pb4+ atoms to form a mixture of distorted corner, edge, and face-sharing OBa4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-21280

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; BaPbO3; Ba-O-Pb

OSTI Identifier:: 1196592

DOI:: https://doi.org/10.17188/1196592

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                    The Materials Project. Materials Data on BaPbO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1196592.

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                    The Materials Project. Materials Data on BaPbO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1196592

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                    The Materials Project. 2020.  
"Materials Data on BaPbO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1196592.  https://www.osti.gov/servlets/purl/1196592. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1196592,

  title        = {Materials Data on BaPbO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaPbO3 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 PbO6 octahedra. All Ba–O bond lengths are 3.08 Å. Pb4+ is bonded to six equivalent O2- atoms to form PbO6 octahedra that share corners with six equivalent PbO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pb–O bond lengths are 2.18 Å. O2- is bonded to four equivalent Ba2+ and two equivalent Pb4+ atoms to form a mixture of distorted corner, edge, and face-sharing OBa4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},

  doi          = {10.17188/1196592},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1196592

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