Materials Data on ZrO2 by Materials Project

doi:10.17188/1200956

Title: Materials Data on ZrO2 by Materials Project

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Abstract

ZrO2 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Zr4+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.09 Å) and four longer (2.44 Å) Zr–O bond lengths. O2- is bonded to four equivalent Zr4+ atoms to form a mixture of distorted edge and corner-sharing OZr4 tetrahedra.

Publication Date:: 2020-07-15

Other Number(s):: mp-2574

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; O-Zr; ZrO2; crystal structure

OSTI Identifier:: 1200956

DOI:: https://doi.org/10.17188/1200956

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                    Materials Data on ZrO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1200956.

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                    Materials Data on ZrO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1200956

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                    2020.  
"Materials Data on ZrO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1200956.  https://www.osti.gov/servlets/purl/1200956. Pub date:Wed Jul 15 04:00:00 UTC 2020

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@article{osti_1200956,

  title        = {Materials Data on ZrO2 by Materials Project},

  
  abstractNote = {ZrO2 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Zr4+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.09 Å) and four longer (2.44 Å) Zr–O bond lengths. O2- is bonded to four equivalent Zr4+ atoms to form a mixture of distorted edge and corner-sharing OZr4 tetrahedra.},

  doi          = {10.17188/1200956},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1200956

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