Materials Data on BaAlO3 by Materials Project

doi:10.17188/1732521

Title: Materials Data on BaAlO3 by Materials Project

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Abstract

BaAlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba is bonded to twelve equivalent O atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent AlO6 octahedra. All Ba–O bond lengths are 2.80 Å. Al is bonded to six equivalent O atoms to form AlO6 octahedra that share corners with six equivalent AlO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–O bond lengths are 1.98 Å. O is bonded in a distorted linear geometry to four equivalent Ba and two equivalent Al atoms.

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1183283

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; BaAlO3; Al-Ba-O

OSTI Identifier:: 1732521

DOI:: https://doi.org/10.17188/1732521

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                    The Materials Project. Materials Data on BaAlO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1732521.

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                    The Materials Project. Materials Data on BaAlO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1732521

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                    The Materials Project. 2020.  
"Materials Data on BaAlO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1732521.  https://www.osti.gov/servlets/purl/1732521. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1732521,

  title        = {Materials Data on BaAlO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {BaAlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba is bonded to twelve equivalent O atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with eight equivalent AlO6 octahedra. All Ba–O bond lengths are 2.80 Å. Al is bonded to six equivalent O atoms to form AlO6 octahedra that share corners with six equivalent AlO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–O bond lengths are 1.98 Å. O is bonded in a distorted linear geometry to four equivalent Ba and two equivalent Al atoms.},

  doi          = {10.17188/1732521},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1732521

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