Materials Data on CeAlO2 by Materials Project

doi:10.17188/1759394

Title: Materials Data on CeAlO2 by Materials Project

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Abstract

CeAlO2 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Ce is bonded in a body-centered cubic geometry to eight O atoms. There are four shorter (2.61 Å) and four longer (2.62 Å) Ce–O bond lengths. Al is bonded in a square co-planar geometry to four O atoms. There is two shorter (1.90 Å) and two longer (1.91 Å) Al–O bond length. There are two inequivalent O sites. In the first O site, O is bonded to four equivalent Ce and two equivalent Al atoms to form a mixture of corner, edge, and face-sharing OCe4Al2 octahedra. The corner-sharing octahedra tilt angles range from 0–62°. In the second O site, O is bonded to four equivalent Ce and two equivalent Al atoms to form a mixture of distorted corner, edge, and face-sharing OCe4Al2 octahedra. The corner-sharing octahedra tilt angles range from 0–62°.

Authors:: The Materials Project

Publication Date:: 2020-09-03

Other Number(s):: mp-1226604

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; CeAlO2; Al-Ce-O

OSTI Identifier:: 1759394

DOI:: https://doi.org/10.17188/1759394

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                    The Materials Project. Materials Data on CeAlO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1759394.

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                    The Materials Project. Materials Data on CeAlO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1759394

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                    The Materials Project. 2020.  
"Materials Data on CeAlO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1759394.  https://www.osti.gov/servlets/purl/1759394. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1759394,

  title        = {Materials Data on CeAlO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CeAlO2 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Ce is bonded in a body-centered cubic geometry to eight O atoms. There are four shorter (2.61 Å) and four longer (2.62 Å) Ce–O bond lengths. Al is bonded in a square co-planar geometry to four O atoms. There is two shorter (1.90 Å) and two longer (1.91 Å) Al–O bond length. There are two inequivalent O sites. In the first O site, O is bonded to four equivalent Ce and two equivalent Al atoms to form a mixture of corner, edge, and face-sharing OCe4Al2 octahedra. The corner-sharing octahedra tilt angles range from 0–62°. In the second O site, O is bonded to four equivalent Ce and two equivalent Al atoms to form a mixture of distorted corner, edge, and face-sharing OCe4Al2 octahedra. The corner-sharing octahedra tilt angles range from 0–62°.},

  doi          = {10.17188/1759394},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {9}

}

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DOI: https://doi.org/10.17188/1759394

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