Materials Data on Sc2O3 by Materials Project

doi:10.17188/1289897

Title: Materials Data on Sc2O3 by Materials Project

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Abstract

Sc2O3 is Corundum structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge, face, and corner-sharing ScO6 octahedra. The corner-sharing octahedra tilt angles range from 48–62°. There are three shorter (2.08 Å) and three longer (2.22 Å) Sc–O bond lengths. O2- is bonded to four equivalent Sc3+ atoms to form a mixture of distorted edge and corner-sharing OSc4 trigonal pyramids.

Publication Date:: 2020-05-03

Other Number(s):: mp-755313

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-Sc; Sc2O3; crystal structure

OSTI Identifier:: 1289897

DOI:: https://doi.org/10.17188/1289897

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                    Materials Data on Sc2O3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1289897.

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                    Materials Data on Sc2O3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1289897

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                    2020.  
"Materials Data on Sc2O3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1289897.  https://www.osti.gov/servlets/purl/1289897. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1289897,

  title        = {Materials Data on Sc2O3 by Materials Project},

  
  abstractNote = {Sc2O3 is Corundum structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge, face, and corner-sharing ScO6 octahedra. The corner-sharing octahedra tilt angles range from 48–62°. There are three shorter (2.08 Å) and three longer (2.22 Å) Sc–O bond lengths. O2- is bonded to four equivalent Sc3+ atoms to form a mixture of distorted edge and corner-sharing OSc4 trigonal pyramids.},

  doi          = {10.17188/1289897},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1289897

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