Materials Data on Al2O3 by Materials Project

doi:10.17188/1698436

Title: Materials Data on Al2O3 by Materials Project

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Abstract

Al2O3 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Al2O3 sheet oriented in the (0, 0, 1) direction. Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There is one shorter (1.68 Å) and three longer (1.84 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to three equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Al3+ atoms.

Publication Date:: 2019-01-13

Other Number(s):: mp-1228448

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Al-O; Al2O3; crystal structure

OSTI Identifier:: 1698436

DOI:: https://doi.org/10.17188/1698436

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                    Materials Data on Al2O3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1698436.

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                    Materials Data on Al2O3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1698436

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                    2019.  
"Materials Data on Al2O3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1698436.  https://www.osti.gov/servlets/purl/1698436. Pub date:Sun Jan 13 04:00:00 UTC 2019

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@article{osti_1698436,

  title        = {Materials Data on Al2O3 by Materials Project},

  
  abstractNote = {Al2O3 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Al2O3 sheet oriented in the (0, 0, 1) direction. Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There is one shorter (1.68 Å) and three longer (1.84 Å) Al–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to three equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Al3+ atoms.},

  doi          = {10.17188/1698436},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1698436

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