Materials Data on Zr2BIr6 by Materials Project

doi:10.17188/1655715

Title: Materials Data on Zr2BIr6 by Materials Project

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Abstract

Zr2Ir6B crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded to twelve equivalent Ir atoms to form ZrIr12 cuboctahedra that share corners with twelve equivalent ZrIr12 cuboctahedra, faces with six equivalent ZrIr12 cuboctahedra, and faces with four equivalent BIr6 octahedra. All Zr–Ir bond lengths are 2.88 Å. Ir is bonded in a 5-coordinate geometry to four equivalent Zr and one B atom. The Ir–B bond length is 2.10 Å. B is bonded to six equivalent Ir atoms to form BIr6 octahedra that share faces with eight equivalent ZrIr12 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-1078623

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; Zr2BIr6; B-Ir-Zr

OSTI Identifier:: 1655715

DOI:: https://doi.org/10.17188/1655715

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                    The Materials Project. Materials Data on Zr2BIr6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1655715.

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                    The Materials Project. Materials Data on Zr2BIr6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1655715

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                    The Materials Project. 2020.  
"Materials Data on Zr2BIr6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1655715.  https://www.osti.gov/servlets/purl/1655715. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1655715,

  title        = {Materials Data on Zr2BIr6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Zr2Ir6B crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded to twelve equivalent Ir atoms to form ZrIr12 cuboctahedra that share corners with twelve equivalent ZrIr12 cuboctahedra, faces with six equivalent ZrIr12 cuboctahedra, and faces with four equivalent BIr6 octahedra. All Zr–Ir bond lengths are 2.88 Å. Ir is bonded in a 5-coordinate geometry to four equivalent Zr and one B atom. The Ir–B bond length is 2.10 Å. B is bonded to six equivalent Ir atoms to form BIr6 octahedra that share faces with eight equivalent ZrIr12 cuboctahedra.},

  doi          = {10.17188/1655715},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1655715

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