Materials Data on Al2O3 by Materials Project

doi:10.17188/1289753

Title: Materials Data on Al2O3 by Materials Project

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Abstract

Al2O3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to five O2- atoms to form corner-sharing AlO5 trigonal bipyramids. There are a spread of Al–O bond distances ranging from 1.82–2.00 Å. In the second Al3+ site, Al3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Al–O bond distances ranging from 1.81–2.26 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Al3+ atoms to form a mixture of distorted edge and corner-sharing OAl4 trigonal pyramids. In the second O2- site, O2- is bonded in a trigonal planar geometry to three Al3+ atoms. In the third O2- site, O2- is bonded to four Al3+ atoms to form a mixture of distorted edge and corner-sharing OAl4 trigonal pyramids.

Publication Date:: 2020-04-29

Other Number(s):: mp-755066

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:: 1289753

DOI:: https://doi.org/10.17188/1289753

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                    Materials Data on Al2O3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1289753.

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                    Materials Data on Al2O3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1289753

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                    2020.  
"Materials Data on Al2O3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1289753.  https://www.osti.gov/servlets/purl/1289753. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1289753,

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

  
  abstractNote = {Al2O3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to five O2- atoms to form corner-sharing AlO5 trigonal bipyramids. There are a spread of Al–O bond distances ranging from 1.82–2.00 Å. In the second Al3+ site, Al3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Al–O bond distances ranging from 1.81–2.26 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Al3+ atoms to form a mixture of distorted edge and corner-sharing OAl4 trigonal pyramids. In the second O2- site, O2- is bonded in a trigonal planar geometry to three Al3+ atoms. In the third O2- site, O2- is bonded to four Al3+ atoms to form a mixture of distorted edge and corner-sharing OAl4 trigonal pyramids.},

  doi          = {10.17188/1289753},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1289753

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Materials Data on Al2O3 by Materials Project

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