Materials Data on Ca3PbO by Materials Project

doi:10.17188/1195403

Title: Materials Data on Ca3PbO by Materials Project

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Abstract

Ca3PbO is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded in a linear geometry to four equivalent Pb and two equivalent O atoms. All Ca–Pb bond lengths are 3.45 Å. Both Ca–O bond lengths are 2.44 Å. Pb is bonded to twelve equivalent Ca atoms to form PbCa12 cuboctahedra that share corners with twelve equivalent PbCa12 cuboctahedra, faces with six equivalent PbCa12 cuboctahedra, and faces with eight equivalent OCa6 octahedra. O is bonded to six equivalent Ca atoms to form OCa6 octahedra that share corners with six equivalent OCa6 octahedra and faces with eight equivalent PbCa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:: The Materials Project

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

Other Number(s):: mp-20273

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; Ca3PbO; Ca-O-Pb

OSTI Identifier:: 1195403

DOI:: https://doi.org/10.17188/1195403

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                    The Materials Project. Materials Data on Ca3PbO by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195403.

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                    The Materials Project. Materials Data on Ca3PbO by Materials Project.  United States.  doi:https://doi.org/10.17188/1195403

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                    The Materials Project. 2020.  
"Materials Data on Ca3PbO by Materials Project".  United States.  doi:https://doi.org/10.17188/1195403.  https://www.osti.gov/servlets/purl/1195403. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1195403,

  title        = {Materials Data on Ca3PbO by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ca3PbO is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded in a linear geometry to four equivalent Pb and two equivalent O atoms. All Ca–Pb bond lengths are 3.45 Å. Both Ca–O bond lengths are 2.44 Å. Pb is bonded to twelve equivalent Ca atoms to form PbCa12 cuboctahedra that share corners with twelve equivalent PbCa12 cuboctahedra, faces with six equivalent PbCa12 cuboctahedra, and faces with eight equivalent OCa6 octahedra. O is bonded to six equivalent Ca atoms to form OCa6 octahedra that share corners with six equivalent OCa6 octahedra and faces with eight equivalent PbCa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1195403},

  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/10.17188/1195403

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