Materials Data on LuAlO3 by Materials Project

doi:10.17188/1748802

Title: Materials Data on LuAlO3 by Materials Project

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Abstract

LuAlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu3+ is bonded to twelve equivalent O2- atoms to form LuO12 cuboctahedra that share corners with twelve equivalent LuO12 cuboctahedra, faces with six equivalent LuO12 cuboctahedra, and faces with eight equivalent AlO6 octahedra. All Lu–O bond lengths are 2.60 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 LuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–O bond lengths are 1.84 Å. O2- is bonded in a distorted linear geometry to four equivalent Lu3+ and two equivalent Al3+ atoms.

Publication Date:: 2020-05-02

Other Number(s):: mp-1185485

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-Lu-O; LuAlO3; crystal structure

OSTI Identifier:: 1748802

DOI:: https://doi.org/10.17188/1748802

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                    Materials Data on LuAlO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1748802.

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                    Materials Data on LuAlO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1748802

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                    2020.  
"Materials Data on LuAlO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1748802.  https://www.osti.gov/servlets/purl/1748802. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1748802,

  title        = {Materials Data on LuAlO3 by Materials Project},

  
  abstractNote = {LuAlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu3+ is bonded to twelve equivalent O2- atoms to form LuO12 cuboctahedra that share corners with twelve equivalent LuO12 cuboctahedra, faces with six equivalent LuO12 cuboctahedra, and faces with eight equivalent AlO6 octahedra. All Lu–O bond lengths are 2.60 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 LuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–O bond lengths are 1.84 Å. O2- is bonded in a distorted linear geometry to four equivalent Lu3+ and two equivalent Al3+ atoms.},

  doi          = {10.17188/1748802},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1748802

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