Materials Data on Ca(BIr)2 by Materials Project

doi:10.17188/1190684

Title: Materials Data on Ca(BIr)2 by Materials Project

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Abstract

Ca(IrB)2 is alpha Pu-derived structured and crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Ca is bonded in a 10-coordinate geometry to eight equivalent Ir and six equivalent B atoms. There are four shorter (3.05 Å) and four longer (3.29 Å) Ca–Ir bond lengths. There are two shorter (3.00 Å) and four longer (3.15 Å) Ca–B bond lengths. Ir is bonded in a 4-coordinate geometry to four equivalent Ca and four equivalent B atoms. There are two shorter (2.09 Å) and two longer (2.16 Å) Ir–B bond lengths. B is bonded in a 4-coordinate geometry to three equivalent Ca and four equivalent Ir atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-14445

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; Ca(BIr)2; B-Ca-Ir

OSTI Identifier:: 1190684

DOI:: https://doi.org/10.17188/1190684

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                    The Materials Project. Materials Data on Ca(BIr)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1190684.

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                    The Materials Project. Materials Data on Ca(BIr)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1190684

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                    The Materials Project. 2020.  
"Materials Data on Ca(BIr)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1190684.  https://www.osti.gov/servlets/purl/1190684. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1190684,

  title        = {Materials Data on Ca(BIr)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ca(IrB)2 is alpha Pu-derived structured and crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Ca is bonded in a 10-coordinate geometry to eight equivalent Ir and six equivalent B atoms. There are four shorter (3.05 Å) and four longer (3.29 Å) Ca–Ir bond lengths. There are two shorter (3.00 Å) and four longer (3.15 Å) Ca–B bond lengths. Ir is bonded in a 4-coordinate geometry to four equivalent Ca and four equivalent B atoms. There are two shorter (2.09 Å) and two longer (2.16 Å) Ir–B bond lengths. B is bonded in a 4-coordinate geometry to three equivalent Ca and four equivalent Ir atoms.},

  doi          = {10.17188/1190684},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1190684

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