Materials Data on PrAlO3 by Materials Project

doi:10.17188/1307972

Title: Materials Data on PrAlO3 by Materials Project

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Abstract

PrAlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr3+ is bonded to twelve equivalent O2- atoms to form PrO12 cuboctahedra that share corners with twelve equivalent PrO12 cuboctahedra, faces with six equivalent PrO12 cuboctahedra, and faces with eight equivalent AlO6 octahedra. All Pr–O bond lengths are 2.68 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 PrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–O bond lengths are 1.90 Å. O2- is bonded in a distorted linear geometry to four equivalent Pr3+ and two equivalent Al3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-8218

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; PrAlO3; Al-O-Pr

OSTI Identifier:: 1307972

DOI:: https://doi.org/10.17188/1307972

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                    The Materials Project. Materials Data on PrAlO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1307972.

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                    The Materials Project. Materials Data on PrAlO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1307972

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                    The Materials Project. 2020.  
"Materials Data on PrAlO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1307972.  https://www.osti.gov/servlets/purl/1307972. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1307972,

  title        = {Materials Data on PrAlO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PrAlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr3+ is bonded to twelve equivalent O2- atoms to form PrO12 cuboctahedra that share corners with twelve equivalent PrO12 cuboctahedra, faces with six equivalent PrO12 cuboctahedra, and faces with eight equivalent AlO6 octahedra. All Pr–O bond lengths are 2.68 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 PrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–O bond lengths are 1.90 Å. O2- is bonded in a distorted linear geometry to four equivalent Pr3+ and two equivalent Al3+ atoms.},

  doi          = {10.17188/1307972},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1307972

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