Materials Data on Y2O3 by Materials Project

doi:10.17188/1201184

Title: Materials Data on Y2O3 by Materials Project

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Abstract

Y2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 54–56°. There are a spread of Y–O bond distances ranging from 2.27–2.36 Å. In the second Y3+ site, Y3+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Y–O bond lengths are 2.31 Å. O2- is bonded to four Y3+ atoms to form a mixture of distorted edge and corner-sharing OY4 trigonal pyramids.

Publication Date:: 2020-07-15

Other Number(s):: mp-2652

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-Y; Y2O3; crystal structure

OSTI Identifier:: 1201184

DOI:: https://doi.org/10.17188/1201184

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                    Materials Data on Y2O3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1201184.

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                    Materials Data on Y2O3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1201184

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                    2020.  
"Materials Data on Y2O3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1201184.  https://www.osti.gov/servlets/purl/1201184. Pub date:Wed Jul 15 04:00:00 UTC 2020

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@article{osti_1201184,

  title        = {Materials Data on Y2O3 by Materials Project},

  
  abstractNote = {Y2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing YO6 octahedra. The corner-sharing octahedra tilt angles range from 54–56°. There are a spread of Y–O bond distances ranging from 2.27–2.36 Å. In the second Y3+ site, Y3+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing YO6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Y–O bond lengths are 2.31 Å. O2- is bonded to four Y3+ atoms to form a mixture of distorted edge and corner-sharing OY4 trigonal pyramids.},

  doi          = {10.17188/1201184},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1201184

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