Materials Data on AlO3 by Materials Project

doi:10.17188/1678648

Title: Materials Data on AlO3 by Materials Project

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Abstract

AlO3 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two AlO3 sheets oriented in the (0, 0, 1) direction. Al is bonded to six O atoms to form distorted edge-sharing AlO6 octahedra. There is four shorter (1.88 Å) and two longer (1.89 Å) Al–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent Al atoms. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent Al atoms. In the third O site, O is bonded in a water-like geometry to two equivalent Al atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1205393

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; AlO3; Al-O

OSTI Identifier:: 1678648

DOI:: https://doi.org/10.17188/1678648

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                    The Materials Project. Materials Data on AlO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1678648.

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                    The Materials Project. Materials Data on AlO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1678648

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                    The Materials Project. 2020.  
"Materials Data on AlO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1678648.  https://www.osti.gov/servlets/purl/1678648. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1678648,

  title        = {Materials Data on AlO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AlO3 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two AlO3 sheets oriented in the (0, 0, 1) direction. Al is bonded to six O atoms to form distorted edge-sharing AlO6 octahedra. There is four shorter (1.88 Å) and two longer (1.89 Å) Al–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent Al atoms. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent Al atoms. In the third O site, O is bonded in a water-like geometry to two equivalent Al atoms.},

  doi          = {10.17188/1678648},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1678648

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Materials Data on AlO3 by Materials Project

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AlO3 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one AlO3 sheet oriented in the (0, 1, 1) direction. there are two inequivalent Al sites. In the first Al site, Al is bonded to six O atoms to form distorted edge-sharing AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.87–1.90 Å. In the second Al site, Al is bonded to six O atoms to form distorted edge-sharing AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.87–1.90 Å. There are six inequivalent O sites. In the firstmore »« less

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