Materials Data on PuNiO3 by Materials Project

doi:10.17188/1682750

Title: Materials Data on PuNiO3 by Materials Project

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Abstract

PuNiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pu4+ is bonded to twelve equivalent O2- atoms to form PuO12 cuboctahedra that share corners with twelve equivalent PuO12 cuboctahedra, faces with six equivalent PuO12 cuboctahedra, and faces with eight equivalent NiO6 octahedra. All Pu–O bond lengths are 2.67 Å. Ni2+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent NiO6 octahedra and faces with eight equivalent PuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–O bond lengths are 1.89 Å. O2- is bonded in a distorted linear geometry to four equivalent Pu4+ and two equivalent Ni2+ atoms.

Authors:: The Materials Project

Publication Date:: Mon May 04 00:00:00 EDT 2020

Other Number(s):: mp-1188081

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; PuNiO3; Ni-O-Pu

OSTI Identifier:: 1682750

DOI:: https://doi.org/10.17188/1682750

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                    The Materials Project. Materials Data on PuNiO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1682750.

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                    The Materials Project. Materials Data on PuNiO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1682750

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                    The Materials Project. 2020.  
"Materials Data on PuNiO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1682750.  https://www.osti.gov/servlets/purl/1682750. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1682750,

  title        = {Materials Data on PuNiO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PuNiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pu4+ is bonded to twelve equivalent O2- atoms to form PuO12 cuboctahedra that share corners with twelve equivalent PuO12 cuboctahedra, faces with six equivalent PuO12 cuboctahedra, and faces with eight equivalent NiO6 octahedra. All Pu–O bond lengths are 2.67 Å. Ni2+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent NiO6 octahedra and faces with eight equivalent PuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–O bond lengths are 1.89 Å. O2- is bonded in a distorted linear geometry to four equivalent Pu4+ and two equivalent Ni2+ atoms.},

  doi          = {10.17188/1682750},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon May 04 00:00:00 EDT 2020},

  month        = {Mon May 04 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1682750

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