Materials Data on Ta2O5 by Materials Project

doi:10.17188/1318992

Title: Materials Data on Ta2O5 by Materials Project

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Abstract

Ta2O5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ta5+ is bonded to five O2- atoms to form distorted corner-sharing TaO5 trigonal bipyramids. There are a spread of Ta–O bond distances ranging from 1.83–2.08 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Ta5+ atoms.

Publication Date:: 2020-07-18

Other Number(s):: mvc-13894

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; O-Ta; Ta2O5; crystal structure

OSTI Identifier:: 1318992

DOI:: https://doi.org/10.17188/1318992

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                    Materials Data on Ta2O5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1318992.

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                    Materials Data on Ta2O5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1318992

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                    2020.  
"Materials Data on Ta2O5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1318992.  https://www.osti.gov/servlets/purl/1318992. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1318992,

  title        = {Materials Data on Ta2O5 by Materials Project},

  
  abstractNote = {Ta2O5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Ta5+ is bonded to five O2- atoms to form distorted corner-sharing TaO5 trigonal bipyramids. There are a spread of Ta–O bond distances ranging from 1.83–2.08 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Ta5+ atoms.},

  doi          = {10.17188/1318992},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1318992

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