Materials Data on YAlO3 by Materials Project

doi:10.17188/1290446

Title: Materials Data on YAlO3 by Materials Project

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Abstract

YAlO3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Y3+ is bonded in a 3-coordinate geometry to nine equivalent O2- atoms. There are three shorter (2.26 Å) and six longer (2.65 Å) Y–O bond lengths. Al3+ is bonded to six equivalent O2- atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 24°. All Al–O bond lengths are 1.91 Å. O2- is bonded in a 5-coordinate geometry to three equivalent Y3+ and two equivalent Al3+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-756214

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; YAlO3; Al-O-Y

OSTI Identifier:: 1290446

DOI:: https://doi.org/10.17188/1290446

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                    The Materials Project. Materials Data on YAlO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1290446.

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                    The Materials Project. Materials Data on YAlO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1290446

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                    The Materials Project. 2020.  
"Materials Data on YAlO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1290446.  https://www.osti.gov/servlets/purl/1290446. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1290446,

  title        = {Materials Data on YAlO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {YAlO3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Y3+ is bonded in a 3-coordinate geometry to nine equivalent O2- atoms. There are three shorter (2.26 Å) and six longer (2.65 Å) Y–O bond lengths. Al3+ is bonded to six equivalent O2- atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 24°. All Al–O bond lengths are 1.91 Å. O2- is bonded in a 5-coordinate geometry to three equivalent Y3+ and two equivalent Al3+ atoms.},

  doi          = {10.17188/1290446},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1290446

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