Materials Data on ZrB by Materials Project

doi:10.17188/1337315

Title: Materials Data on ZrB by Materials Project

Dataset
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Abstract

ZrB is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Zr–B bond lengths are 2.46 Å. B3- is bonded to six equivalent Zr3+ atoms to form a mixture of corner, edge, and face-sharing BZr6 octahedra. The corner-sharing octahedral tilt angles are 50°.

Publication Date:: 2020-05-02

Other Number(s):: mp-1014246

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-Zr; ZrB; crystal structure

OSTI Identifier:: 1337315

DOI:: https://doi.org/10.17188/1337315

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                    Materials Data on ZrB by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1337315.

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                    Materials Data on ZrB by Materials Project.  United States.  doi:https://doi.org/10.17188/1337315

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                    2020.  
"Materials Data on ZrB by Materials Project".  United States.  doi:https://doi.org/10.17188/1337315.  https://www.osti.gov/servlets/purl/1337315. Pub date:Sat May 02 04:00:00 UTC 2020

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@article{osti_1337315,

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

  
  abstractNote = {ZrB is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Zr–B bond lengths are 2.46 Å. B3- is bonded to six equivalent Zr3+ atoms to form a mixture of corner, edge, and face-sharing BZr6 octahedra. The corner-sharing octahedral tilt angles are 50°.},

  doi          = {10.17188/1337315},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1337315

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