Materials Data on BPdO3 by Materials Project

doi:10.17188/1680430

Title: Materials Data on BPdO3 by Materials Project

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Abstract

PdBO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pd is bonded to twelve equivalent O atoms to form PdO12 cuboctahedra that share corners with twelve equivalent PdO12 cuboctahedra, faces with six equivalent PdO12 cuboctahedra, and faces with eight equivalent BO6 octahedra. All Pd–O bond lengths are 2.42 Å. B is bonded to six equivalent O atoms to form BO6 octahedra that share corners with six equivalent BO6 octahedra and faces with eight equivalent PdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All B–O bond lengths are 1.71 Å. O is bonded in a distorted linear geometry to four equivalent Pd and two equivalent B atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1183242

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; BPdO3; B-O-Pd

OSTI Identifier:: 1680430

DOI:: https://doi.org/10.17188/1680430

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                    The Materials Project. Materials Data on BPdO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1680430.

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                    The Materials Project. Materials Data on BPdO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1680430

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                    The Materials Project. 2020.  
"Materials Data on BPdO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1680430.  https://www.osti.gov/servlets/purl/1680430. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1680430,

  title        = {Materials Data on BPdO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PdBO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pd is bonded to twelve equivalent O atoms to form PdO12 cuboctahedra that share corners with twelve equivalent PdO12 cuboctahedra, faces with six equivalent PdO12 cuboctahedra, and faces with eight equivalent BO6 octahedra. All Pd–O bond lengths are 2.42 Å. B is bonded to six equivalent O atoms to form BO6 octahedra that share corners with six equivalent BO6 octahedra and faces with eight equivalent PdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All B–O bond lengths are 1.71 Å. O is bonded in a distorted linear geometry to four equivalent Pd and two equivalent B atoms.},

  doi          = {10.17188/1680430},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1680430

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