Materials Data on PaBO3 by Materials Project

doi:10.17188/1314301

Title: Materials Data on PaBO3 by Materials Project

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Abstract

PaBO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pa3+ is bonded to twelve equivalent O2- atoms to form PaO12 cuboctahedra that share corners with twelve equivalent PaO12 cuboctahedra, faces with six equivalent PaO12 cuboctahedra, and faces with eight equivalent BO6 octahedra. All Pa–O bond lengths are 2.56 Å. B3+ is bonded to six equivalent O2- atoms to form BO6 octahedra that share corners with six equivalent BO6 octahedra and faces with eight equivalent PaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All B–O bond lengths are 1.81 Å. O2- is bonded in a distorted linear geometry to four equivalent Pa3+ and two equivalent B3+ atoms.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-973877

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; PaBO3; B-O-Pa

OSTI Identifier:: 1314301

DOI:: https://doi.org/10.17188/1314301

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                    The Materials Project. Materials Data on PaBO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314301.

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                    The Materials Project. Materials Data on PaBO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1314301

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                    The Materials Project. 2020.  
"Materials Data on PaBO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1314301.  https://www.osti.gov/servlets/purl/1314301. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1314301,

  title        = {Materials Data on PaBO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PaBO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pa3+ is bonded to twelve equivalent O2- atoms to form PaO12 cuboctahedra that share corners with twelve equivalent PaO12 cuboctahedra, faces with six equivalent PaO12 cuboctahedra, and faces with eight equivalent BO6 octahedra. All Pa–O bond lengths are 2.56 Å. B3+ is bonded to six equivalent O2- atoms to form BO6 octahedra that share corners with six equivalent BO6 octahedra and faces with eight equivalent PaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All B–O bond lengths are 1.81 Å. O2- is bonded in a distorted linear geometry to four equivalent Pa3+ and two equivalent B3+ atoms.},

  doi          = {10.17188/1314301},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1314301

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