Materials Data on ZrH2 by Materials Project

doi:10.17188/1200012

Title: Materials Data on ZrH2 by Materials Project

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Abstract

ZrH2 is Fluorite-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Zr2+ is bonded in a body-centered cubic geometry to eight equivalent H1- atoms. All Zr–H bond lengths are 2.09 Å. H1- is bonded to four equivalent Zr2+ atoms to form a mixture of edge and corner-sharing HZr4 tetrahedra.

Publication Date:: Wed Jul 15 04:00:00 UTC 2020

Other Number(s):: mp-24286

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; H-Zr; ZrH2; crystal structure

OSTI Identifier:: 1200012

DOI:: https://doi.org/10.17188/1200012

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                    Materials Data on ZrH2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1200012.

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                    Materials Data on ZrH2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1200012

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                    2020.  
"Materials Data on ZrH2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1200012.  https://www.osti.gov/servlets/purl/1200012. Pub date:Wed Jul 15 04:00:00 UTC 2020

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@article{osti_1200012,

  title        = {Materials Data on ZrH2 by Materials Project},

  
  abstractNote = {ZrH2 is Fluorite-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Zr2+ is bonded in a body-centered cubic geometry to eight equivalent H1- atoms. All Zr–H bond lengths are 2.09 Å. H1- is bonded to four equivalent Zr2+ atoms to form a mixture of edge and corner-sharing HZr4 tetrahedra.},

  doi          = {10.17188/1200012},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 04:00:00 UTC 2020},

  month        = {Wed Jul 15 04:00:00 UTC 2020}

}

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DOI: https://doi.org/10.17188/1200012

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