Materials Data on Y3Ga5O12 by Materials Project

doi:10.17188/1266980

Title: Materials Data on Y3Ga5O12 by Materials Project

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Abstract

Y3Ga5O12 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 (2.36 Å) and four longer (2.46 Å) Y–O bond lengths. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent O2- atoms to form corner-sharing GaO4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. All Ga–O bond lengths are 1.87 Å. In the second Ga3+ site, Ga3+ is bonded to six equivalent O2- atoms to form corner-sharing GaO6 octahedra. All Ga–O bond lengths are 2.02 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two Ga3+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-5444

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; Y3Ga5O12; Ga-O-Y

OSTI Identifier:: 1266980

DOI:: https://doi.org/10.17188/1266980

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                    The Materials Project. Materials Data on Y3Ga5O12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1266980.

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                    The Materials Project. Materials Data on Y3Ga5O12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1266980

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                    The Materials Project. 2020.  
"Materials Data on Y3Ga5O12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1266980.  https://www.osti.gov/servlets/purl/1266980. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1266980,

  title        = {Materials Data on Y3Ga5O12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Y3Ga5O12 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 (2.36 Å) and four longer (2.46 Å) Y–O bond lengths. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent O2- atoms to form corner-sharing GaO4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. All Ga–O bond lengths are 1.87 Å. In the second Ga3+ site, Ga3+ is bonded to six equivalent O2- atoms to form corner-sharing GaO6 octahedra. All Ga–O bond lengths are 2.02 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two Ga3+ atoms.},

  doi          = {10.17188/1266980},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1266980

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