Materials Data on UPdO3 by Materials Project

doi:10.17188/1711482

Title: Materials Data on UPdO3 by Materials Project

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Abstract

UPdO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. U4+ is bonded to six equivalent O2- atoms to form UO6 octahedra that share corners with six equivalent UO6 octahedra and faces with eight equivalent PdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All U–O bond lengths are 2.11 Å. Pd2+ is bonded to twelve equivalent O2- atoms to form PdO12 cuboctahedra that share corners with twelve equivalent PdO12 cuboctahedra, faces with six equivalent PdO12 cuboctahedra, and faces with eight equivalent UO6 octahedra. All Pd–O bond lengths are 2.98 Å. O2- is bonded in a linear geometry to two equivalent U4+ and four equivalent Pd2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1187714

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; UPdO3; O-Pd-U

OSTI Identifier:: 1711482

DOI:: https://doi.org/10.17188/1711482

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                    The Materials Project. Materials Data on UPdO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1711482.

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                    The Materials Project. Materials Data on UPdO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1711482

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                    The Materials Project. 2020.  
"Materials Data on UPdO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1711482.  https://www.osti.gov/servlets/purl/1711482. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1711482,

  title        = {Materials Data on UPdO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {UPdO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. U4+ is bonded to six equivalent O2- atoms to form UO6 octahedra that share corners with six equivalent UO6 octahedra and faces with eight equivalent PdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All U–O bond lengths are 2.11 Å. Pd2+ is bonded to twelve equivalent O2- atoms to form PdO12 cuboctahedra that share corners with twelve equivalent PdO12 cuboctahedra, faces with six equivalent PdO12 cuboctahedra, and faces with eight equivalent UO6 octahedra. All Pd–O bond lengths are 2.98 Å. O2- is bonded in a linear geometry to two equivalent U4+ and four equivalent Pd2+ atoms.},

  doi          = {10.17188/1711482},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1711482

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