Materials Data on LaAlO3 by Materials Project

doi:10.17188/1263229

Title: Materials Data on LaAlO3 by Materials Project

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Abstract

LaAlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent O2- atoms to form LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, and faces with eight equivalent AlO6 octahedra. All La–O bond lengths are 2.69 Å. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent AlO6 octahedra and faces with eight equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–O bond lengths are 1.91 Å. O2- is bonded in a distorted linear geometry to four equivalent La3+ and two equivalent Al3+ atoms.

Publication Date:: 2020-07-15

Other Number(s):: mp-5304

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; Al-La-O; LaAlO3; crystal structure

OSTI Identifier:: 1263229

DOI:: https://doi.org/10.17188/1263229

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                    Materials Data on LaAlO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1263229.

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                    Materials Data on LaAlO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1263229

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                    2020.  
"Materials Data on LaAlO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1263229.  https://www.osti.gov/servlets/purl/1263229. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1263229,

  title        = {Materials Data on LaAlO3 by Materials Project},

  
  abstractNote = {LaAlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent O2- atoms to form LaO12 cuboctahedra that share corners with twelve equivalent LaO12 cuboctahedra, faces with six equivalent LaO12 cuboctahedra, and faces with eight equivalent AlO6 octahedra. All La–O bond lengths are 2.69 Å. Al3+ is bonded to six equivalent O2- atoms to form AlO6 octahedra that share corners with six equivalent AlO6 octahedra and faces with eight equivalent LaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–O bond lengths are 1.91 Å. O2- is bonded in a distorted linear geometry to four equivalent La3+ and two equivalent Al3+ atoms.},

  doi          = {10.17188/1263229},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1263229

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