Materials Data on Th(BIr)4 by Materials Project

doi:10.17188/1705106

Title: Materials Data on Th(BIr)4 by Materials Project

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Abstract

Th(IrB)4 is alpha Pu-derived structured and crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. Th is bonded in a 4-coordinate geometry to eight equivalent Ir and twelve equivalent B atoms. There are four shorter (3.14 Å) and four longer (3.34 Å) Th–Ir bond lengths. There are a spread of Th–B bond distances ranging from 2.94–3.48 Å. Ir is bonded in a 4-coordinate geometry to two equivalent Th and four equivalent B atoms. There are a spread of Ir–B bond distances ranging from 2.11–2.17 Å. B is bonded in a 6-coordinate geometry to three equivalent Th, four equivalent Ir, and one B atom. The B–B bond length is 1.86 Å.

Publication Date:: 2018-07-19

Other Number(s):: mp-1106302

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; B-Ir-Th; Th(BIr)4; crystal structure

OSTI Identifier:: 1705106

DOI:: https://doi.org/10.17188/1705106

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                    Materials Data on Th(BIr)4 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1705106.

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                    Materials Data on Th(BIr)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1705106

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                    2018.  
"Materials Data on Th(BIr)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1705106.  https://www.osti.gov/servlets/purl/1705106. Pub date:Thu Jul 19 04:00:00 UTC 2018

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@article{osti_1705106,

  title        = {Materials Data on Th(BIr)4 by Materials Project},

  
  abstractNote = {Th(IrB)4 is alpha Pu-derived structured and crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. Th is bonded in a 4-coordinate geometry to eight equivalent Ir and twelve equivalent B atoms. There are four shorter (3.14 Å) and four longer (3.34 Å) Th–Ir bond lengths. There are a spread of Th–B bond distances ranging from 2.94–3.48 Å. Ir is bonded in a 4-coordinate geometry to two equivalent Th and four equivalent B atoms. There are a spread of Ir–B bond distances ranging from 2.11–2.17 Å. B is bonded in a 6-coordinate geometry to three equivalent Th, four equivalent Ir, and one B atom. The B–B bond length is 1.86 Å.},

  doi          = {10.17188/1705106},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1705106

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