Materials Data on PuB4Mo by Materials Project

doi:10.17188/1682706

Title: Materials Data on PuB4Mo by Materials Project

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Abstract

PuMoB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Pu3+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Pu–B bond distances ranging from 2.68–2.81 Å. Mo3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Mo–B bond distances ranging from 2.36–2.40 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Pu3+, two equivalent Mo3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.80–1.88 Å. In the second B+1.50- site, B+1.50- is bonded in a 3-coordinate geometry to four equivalent Pu3+, two equivalent Mo3+, and three B+1.50- atoms. There is one shorter (1.77 Å) and one longer (1.78 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Pu3+, four equivalent Mo3+, and three B+1.50- atoms. Both B–B bond lengths are 1.78 Å. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Pu3+, two equivalent Mo3+, and three B+1.50- atoms.

Authors:: The Materials Project

Publication Date:: Fri Jan 11 00:00:00 EST 2019

Other Number(s):: mp-1190919

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; PuB4Mo; B-Mo-Pu

OSTI Identifier:: 1682706

DOI:: https://doi.org/10.17188/1682706

Citation Formats


                    The Materials Project. Materials Data on PuB4Mo by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1682706.

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                    The Materials Project. Materials Data on PuB4Mo by Materials Project.  United States.  doi:https://doi.org/10.17188/1682706

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                    The Materials Project. 2019.  
"Materials Data on PuB4Mo by Materials Project".  United States.  doi:https://doi.org/10.17188/1682706.  https://www.osti.gov/servlets/purl/1682706. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1682706,

  title        = {Materials Data on PuB4Mo by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PuMoB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Pu3+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Pu–B bond distances ranging from 2.68–2.81 Å. Mo3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Mo–B bond distances ranging from 2.36–2.40 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Pu3+, two equivalent Mo3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.80–1.88 Å. In the second B+1.50- site, B+1.50- is bonded in a 3-coordinate geometry to four equivalent Pu3+, two equivalent Mo3+, and three B+1.50- atoms. There is one shorter (1.77 Å) and one longer (1.78 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Pu3+, four equivalent Mo3+, and three B+1.50- atoms. Both B–B bond lengths are 1.78 Å. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Pu3+, two equivalent Mo3+, and three B+1.50- atoms.},

  doi          = {10.17188/1682706},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jan 11 00:00:00 EST 2019},

  month        = {Fri Jan 11 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1682706

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