Materials Data on Al2O3 by Materials Project

doi:10.17188/1705986

Title: Materials Data on Al2O3 by Materials Project

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Abstract

Al2O3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Al3+ is bonded to five O2- atoms to form a mixture of edge and corner-sharing AlO5 trigonal bipyramids. There are a spread of Al–O bond distances ranging from 1.78–2.02 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a T-shaped geometry to three equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a see-saw-like geometry to four equivalent Al3+ atoms.

Publication Date:: 2019-01-10

Other Number(s):: mp-1182923

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:: 1705986

DOI:: https://doi.org/10.17188/1705986

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                    Materials Data on Al2O3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1705986.

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                    Materials Data on Al2O3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1705986

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                    2019.  
"Materials Data on Al2O3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1705986.  https://www.osti.gov/servlets/purl/1705986. Pub date:Thu Jan 10 23:00:00 EST 2019

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@article{osti_1705986,

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

  
  abstractNote = {Al2O3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Al3+ is bonded to five O2- atoms to form a mixture of edge and corner-sharing AlO5 trigonal bipyramids. There are a spread of Al–O bond distances ranging from 1.78–2.02 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a T-shaped geometry to three equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a see-saw-like geometry to four equivalent Al3+ atoms.},

  doi          = {10.17188/1705986},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1705986

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