Materials Data on KPdO3 by Materials Project

doi:10.17188/1313987

Title: Materials Data on KPdO3 by Materials Project

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Abstract

KPdO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K is bonded to twelve equivalent O atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, and faces with eight equivalent PdO6 octahedra. All K–O bond lengths are 2.88 Å. Pd is bonded to six equivalent O atoms to form PdO6 octahedra that share corners with six equivalent PdO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pd–O bond lengths are 2.04 Å. O is bonded to four equivalent K and two equivalent Pd atoms to form a mixture of distorted corner, edge, and face-sharing OK4Pd2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

Authors:: The Materials Project

Publication Date:: 2020-07-20

Other Number(s):: mp-972985

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; KPdO3; K-O-Pd

OSTI Identifier:: 1313987

DOI:: https://doi.org/10.17188/1313987

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                    The Materials Project. Materials Data on KPdO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1313987.

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                    The Materials Project. Materials Data on KPdO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1313987

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                    The Materials Project. 2020.  
"Materials Data on KPdO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1313987.  https://www.osti.gov/servlets/purl/1313987. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1313987,

  title        = {Materials Data on KPdO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KPdO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K is bonded to twelve equivalent O atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, and faces with eight equivalent PdO6 octahedra. All K–O bond lengths are 2.88 Å. Pd is bonded to six equivalent O atoms to form PdO6 octahedra that share corners with six equivalent PdO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pd–O bond lengths are 2.04 Å. O is bonded to four equivalent K and two equivalent Pd atoms to form a mixture of distorted corner, edge, and face-sharing OK4Pd2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},

  doi          = {10.17188/1313987},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1313987

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