Materials Data on Y3Cr2(GaO4)3 by Materials Project

doi:10.17188/1751528

Title: Materials Data on Y3Cr2(GaO4)3 by Materials Project

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Abstract

Y3Cr2(GaO4)3 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. Cr3+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent GaO4 tetrahedra. All Cr–O bond lengths are 2.03 Å. Ga3+ is bonded to four equivalent O2- atoms to form GaO4 tetrahedra that share corners with four equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 54°. All Ga–O bond lengths are 1.87 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Y3+, one Cr3+, and one Ga3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1207967

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; Y3Cr2(GaO4)3; Cr-Ga-O-Y

OSTI Identifier:: 1751528

DOI:: https://doi.org/10.17188/1751528

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                    The Materials Project. Materials Data on Y3Cr2(GaO4)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1751528.

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                    The Materials Project. Materials Data on Y3Cr2(GaO4)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1751528

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                    The Materials Project. 2020.  
"Materials Data on Y3Cr2(GaO4)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1751528.  https://www.osti.gov/servlets/purl/1751528. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1751528,

  title        = {Materials Data on Y3Cr2(GaO4)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Y3Cr2(GaO4)3 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. Cr3+ is bonded to six equivalent O2- atoms to form CrO6 octahedra that share corners with six equivalent GaO4 tetrahedra. All Cr–O bond lengths are 2.03 Å. Ga3+ is bonded to four equivalent O2- atoms to form GaO4 tetrahedra that share corners with four equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 54°. All Ga–O bond lengths are 1.87 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Y3+, one Cr3+, and one Ga3+ atom.},

  doi          = {10.17188/1751528},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1751528

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