Materials Data on NpRuO3 by Materials Project

doi:10.17188/1727185

Title: Materials Data on NpRuO3 by Materials Project

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Abstract

NpRuO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Np3+ is bonded to twelve equivalent O2- atoms to form NpO12 cuboctahedra that share corners with twelve equivalent NpO12 cuboctahedra, faces with six equivalent NpO12 cuboctahedra, and faces with eight equivalent RuO6 octahedra. All Np–O bond lengths are 2.80 Å. Ru3+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent RuO6 octahedra and faces with eight equivalent NpO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ru–O bond lengths are 1.98 Å. O2- is bonded in a distorted linear geometry to four equivalent Np3+ and two equivalent Ru3+ atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1186329

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; NpRuO3; Np-O-Ru

OSTI Identifier:: 1727185

DOI:: https://doi.org/10.17188/1727185

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                    The Materials Project. Materials Data on NpRuO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1727185.

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                    The Materials Project. Materials Data on NpRuO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1727185

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                    The Materials Project. 2020.  
"Materials Data on NpRuO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1727185.  https://www.osti.gov/servlets/purl/1727185. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1727185,

  title        = {Materials Data on NpRuO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NpRuO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Np3+ is bonded to twelve equivalent O2- atoms to form NpO12 cuboctahedra that share corners with twelve equivalent NpO12 cuboctahedra, faces with six equivalent NpO12 cuboctahedra, and faces with eight equivalent RuO6 octahedra. All Np–O bond lengths are 2.80 Å. Ru3+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent RuO6 octahedra and faces with eight equivalent NpO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ru–O bond lengths are 1.98 Å. O2- is bonded in a distorted linear geometry to four equivalent Np3+ and two equivalent Ru3+ atoms.},

  doi          = {10.17188/1727185},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1727185

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