Materials Data on Pu2O3 by Materials Project

doi:10.17188/1196880

Title: Materials Data on Pu2O3 by Materials Project

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Abstract

Pu2O3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Pu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pu–O bond distances ranging from 2.28–2.61 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to six equivalent Pu3+ atoms to form OPu6 octahedra that share corners with twelve equivalent OPu4 tetrahedra, edges with six equivalent OPu6 octahedra, and edges with six equivalent OPu4 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Pu3+ atoms to form OPu4 tetrahedra that share corners with six equivalent OPu6 octahedra, corners with six equivalent OPu4 tetrahedra, edges with three equivalent OPu6 octahedra, and edges with three equivalent OPu4 tetrahedra. The corner-sharing octahedra tilt angles range from 16–56°.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-21423

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; Pu2O3; O-Pu

OSTI Identifier:: 1196880

DOI:: https://doi.org/10.17188/1196880

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                    The Materials Project. Materials Data on Pu2O3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1196880.

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                    The Materials Project. Materials Data on Pu2O3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1196880

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                    The Materials Project. 2020.  
"Materials Data on Pu2O3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1196880.  https://www.osti.gov/servlets/purl/1196880. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1196880,

  title        = {Materials Data on Pu2O3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pu2O3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Pu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pu–O bond distances ranging from 2.28–2.61 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to six equivalent Pu3+ atoms to form OPu6 octahedra that share corners with twelve equivalent OPu4 tetrahedra, edges with six equivalent OPu6 octahedra, and edges with six equivalent OPu4 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Pu3+ atoms to form OPu4 tetrahedra that share corners with six equivalent OPu6 octahedra, corners with six equivalent OPu4 tetrahedra, edges with three equivalent OPu6 octahedra, and edges with three equivalent OPu4 tetrahedra. The corner-sharing octahedra tilt angles range from 16–56°.},

  doi          = {10.17188/1196880},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1196880

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