Materials Data on PuB2Os3 by Materials Project

doi:10.17188/1749616

Title: Materials Data on PuB2Os3 by Materials Project

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Abstract

PuOs3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Pu3+ is bonded to two equivalent Pu3+ and twelve equivalent Os1- atoms to form distorted PuPu2Os12 cuboctahedra that share corners with fourteen equivalent PuPu2Os12 cuboctahedra, edges with six equivalent PuPu2Os12 cuboctahedra, edges with twelve equivalent BOs6 pentagonal pyramids, faces with two equivalent PuPu2Os12 cuboctahedra, and faces with six equivalent BOs6 pentagonal pyramids. Both Pu–Pu bond lengths are 2.97 Å. All Pu–Os bond lengths are 3.17 Å. Os1- is bonded in a distorted square co-planar geometry to four equivalent Pu3+ and four equivalent B atoms. All Os–B bond lengths are 2.19 Å. B is bonded to six equivalent Os1- atoms to form distorted BOs6 pentagonal pyramids that share corners with six equivalent BOs6 pentagonal pyramids, edges with six equivalent PuPu2Os12 cuboctahedra, edges with three equivalent BOs6 pentagonal pyramids, faces with three equivalent PuPu2Os12 cuboctahedra, and faces with two equivalent BOs6 pentagonal pyramids.

Authors:: The Materials Project

Publication Date:: 2020-06-05

Other Number(s):: mp-1077278

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; PuB2Os3; B-Os-Pu

OSTI Identifier:: 1749616

DOI:: https://doi.org/10.17188/1749616

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                    The Materials Project. Materials Data on PuB2Os3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1749616.

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                    The Materials Project. Materials Data on PuB2Os3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1749616

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                    The Materials Project. 2020.  
"Materials Data on PuB2Os3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1749616.  https://www.osti.gov/servlets/purl/1749616. Pub date:Fri Jun 05 00:00:00 EDT 2020

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@article{osti_1749616,

  title        = {Materials Data on PuB2Os3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PuOs3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Pu3+ is bonded to two equivalent Pu3+ and twelve equivalent Os1- atoms to form distorted PuPu2Os12 cuboctahedra that share corners with fourteen equivalent PuPu2Os12 cuboctahedra, edges with six equivalent PuPu2Os12 cuboctahedra, edges with twelve equivalent BOs6 pentagonal pyramids, faces with two equivalent PuPu2Os12 cuboctahedra, and faces with six equivalent BOs6 pentagonal pyramids. Both Pu–Pu bond lengths are 2.97 Å. All Pu–Os bond lengths are 3.17 Å. Os1- is bonded in a distorted square co-planar geometry to four equivalent Pu3+ and four equivalent B atoms. All Os–B bond lengths are 2.19 Å. B is bonded to six equivalent Os1- atoms to form distorted BOs6 pentagonal pyramids that share corners with six equivalent BOs6 pentagonal pyramids, edges with six equivalent PuPu2Os12 cuboctahedra, edges with three equivalent BOs6 pentagonal pyramids, faces with three equivalent PuPu2Os12 cuboctahedra, and faces with two equivalent BOs6 pentagonal pyramids.},

  doi          = {10.17188/1749616},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {6}

}

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DOI: https://doi.org/10.17188/1749616

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