Materials Data on CeAlO3 by Materials Project

doi:10.17188/1263432

Title: Materials Data on CeAlO3 by Materials Project

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Abstract

CeAlO3 is (Cubic) Perovskite structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ce3+ is bonded to twelve O2- atoms to form CeO12 cuboctahedra that share corners with twelve equivalent CeO12 cuboctahedra, faces with six equivalent CeO12 cuboctahedra, and faces with eight equivalent AlO6 octahedra. There are four shorter (2.67 Å) and eight longer (2.68 Å) Ce–O bond lengths. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with six equivalent AlO6 octahedra and faces with eight equivalent CeO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There is four shorter (1.89 Å) and two longer (1.90 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent Ce3+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Ce3+ and two equivalent Al3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-5323

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; CeAlO3; Al-Ce-O

OSTI Identifier:: 1263432

DOI:: https://doi.org/10.17188/1263432

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                    The Materials Project. Materials Data on CeAlO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1263432.

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                    The Materials Project. Materials Data on CeAlO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1263432

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                    The Materials Project. 2020.  
"Materials Data on CeAlO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1263432.  https://www.osti.gov/servlets/purl/1263432. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1263432,

  title        = {Materials Data on CeAlO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CeAlO3 is (Cubic) Perovskite structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ce3+ is bonded to twelve O2- atoms to form CeO12 cuboctahedra that share corners with twelve equivalent CeO12 cuboctahedra, faces with six equivalent CeO12 cuboctahedra, and faces with eight equivalent AlO6 octahedra. There are four shorter (2.67 Å) and eight longer (2.68 Å) Ce–O bond lengths. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with six equivalent AlO6 octahedra and faces with eight equivalent CeO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There is four shorter (1.89 Å) and two longer (1.90 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent Ce3+ and two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Ce3+ and two equivalent Al3+ atoms.},

  doi          = {10.17188/1263432},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1263432

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