Materials Data on Y3Sc2Al3O12 by Materials Project

doi:10.17188/1190832

Title: Materials Data on Y3Sc2Al3O12 by Materials Project

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Abstract

Y3Sc2Al3O12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Y3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.37 Å) and four longer (2.47 Å) Y–O bond lengths. Sc3+ is bonded to six equivalent O2- atoms to form ScO6 octahedra that share corners with six equivalent AlO4 tetrahedra. All Sc–O bond lengths are 2.11 Å. Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with four equivalent ScO6 octahedra. The corner-sharing octahedral tilt angles are 54°. All Al–O bond lengths are 1.79 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Y3+, one Sc3+, and one Al3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-04-30

Other Number(s):: mp-14678

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; Y3Sc2Al3O12; Al-O-Sc-Y

OSTI Identifier:: 1190832

DOI:: https://doi.org/10.17188/1190832

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                    The Materials Project. Materials Data on Y3Sc2Al3O12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1190832.

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                    The Materials Project. Materials Data on Y3Sc2Al3O12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1190832

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                    The Materials Project. 2020.  
"Materials Data on Y3Sc2Al3O12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1190832.  https://www.osti.gov/servlets/purl/1190832. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1190832,

  title        = {Materials Data on Y3Sc2Al3O12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Y3Sc2Al3O12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Y3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.37 Å) and four longer (2.47 Å) Y–O bond lengths. Sc3+ is bonded to six equivalent O2- atoms to form ScO6 octahedra that share corners with six equivalent AlO4 tetrahedra. All Sc–O bond lengths are 2.11 Å. Al3+ is bonded to four equivalent O2- atoms to form AlO4 tetrahedra that share corners with four equivalent ScO6 octahedra. The corner-sharing octahedral tilt angles are 54°. All Al–O bond lengths are 1.79 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Y3+, one Sc3+, and one Al3+ atom.},

  doi          = {10.17188/1190832},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1190832

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