Materials Data on PaHgO3 by Materials Project

doi:10.17188/1753472

Title: Materials Data on PaHgO3 by Materials Project

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Abstract

PaHgO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pa4+ is bonded to six equivalent O2- atoms to form PaO6 octahedra that share corners with six equivalent PaO6 octahedra and faces with eight equivalent HgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pa–O bond lengths are 2.19 Å. Hg2+ is bonded to twelve equivalent O2- atoms to form HgO12 cuboctahedra that share corners with twelve equivalent HgO12 cuboctahedra, faces with six equivalent HgO12 cuboctahedra, and faces with eight equivalent PaO6 octahedra. All Hg–O bond lengths are 3.09 Å. O2- is bonded in a linear geometry to two equivalent Pa4+ and four equivalent Hg2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1186395

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; PaHgO3; Hg-O-Pa

OSTI Identifier:: 1753472

DOI:: https://doi.org/10.17188/1753472

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                    The Materials Project. Materials Data on PaHgO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1753472.

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                    The Materials Project. Materials Data on PaHgO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1753472

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                    The Materials Project. 2020.  
"Materials Data on PaHgO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1753472.  https://www.osti.gov/servlets/purl/1753472. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1753472,

  title        = {Materials Data on PaHgO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PaHgO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pa4+ is bonded to six equivalent O2- atoms to form PaO6 octahedra that share corners with six equivalent PaO6 octahedra and faces with eight equivalent HgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pa–O bond lengths are 2.19 Å. Hg2+ is bonded to twelve equivalent O2- atoms to form HgO12 cuboctahedra that share corners with twelve equivalent HgO12 cuboctahedra, faces with six equivalent HgO12 cuboctahedra, and faces with eight equivalent PaO6 octahedra. All Hg–O bond lengths are 3.09 Å. O2- is bonded in a linear geometry to two equivalent Pa4+ and four equivalent Hg2+ atoms.},

  doi          = {10.17188/1753472},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1753472

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