Materials Data on BaPbO3 by Materials Project

doi:10.17188/1197446

Title: Materials Data on BaPbO3 by Materials Project

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Abstract

BaPbO3 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ba2+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.71–3.35 Å. Pb4+ is bonded to six O2- atoms to form corner-sharing PbO6 octahedra. The corner-sharing octahedra tilt angles range from 18–23°. All Pb–O bond lengths are 2.21 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent Ba2+ and two equivalent Pb4+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ba2+ and two equivalent Pb4+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-22230

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:: 1197446

DOI:: https://doi.org/10.17188/1197446

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                    The Materials Project. Materials Data on BaPbO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197446.

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                    The Materials Project. Materials Data on BaPbO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1197446

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                    The Materials Project. 2020.  
"Materials Data on BaPbO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1197446.  https://www.osti.gov/servlets/purl/1197446. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1197446,

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

  author       = {The Materials Project},

  abstractNote = {BaPbO3 is Orthorhombic Perovskite-like structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ba2+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Ba–O bond distances ranging from 2.71–3.35 Å. Pb4+ is bonded to six O2- atoms to form corner-sharing PbO6 octahedra. The corner-sharing octahedra tilt angles range from 18–23°. All Pb–O bond lengths are 2.21 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent Ba2+ and two equivalent Pb4+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ba2+ and two equivalent Pb4+ atoms.},

  doi          = {10.17188/1197446},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1197446

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