Materials Data on Ta2O by Materials Project

doi:10.17188/1202044

Title: Materials Data on Ta2O by Materials Project

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Abstract

Ta2O is alpha Po structured and crystallizes in the cubic I-43m space group. The structure is zero-dimensional and consists of six tantalum molecules and two Ta5O4 clusters. In each Ta5O4 cluster, there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a distorted single-bond geometry to one O atom. The Ta–O bond length is 1.84 Å. In the second Ta site, Ta is bonded in a tetrahedral geometry to four equivalent O atoms. All Ta–O bond lengths are 1.88 Å. O is bonded in a distorted linear geometry to two Ta atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-27873

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; Ta2O; O-Ta

OSTI Identifier:: 1202044

DOI:: https://doi.org/10.17188/1202044

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                    The Materials Project. Materials Data on Ta2O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1202044.

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                    The Materials Project. Materials Data on Ta2O by Materials Project.  United States.  doi:https://doi.org/10.17188/1202044

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                    The Materials Project. 2020.  
"Materials Data on Ta2O by Materials Project".  United States.  doi:https://doi.org/10.17188/1202044.  https://www.osti.gov/servlets/purl/1202044. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1202044,

  title        = {Materials Data on Ta2O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ta2O is alpha Po structured and crystallizes in the cubic I-43m space group. The structure is zero-dimensional and consists of six tantalum molecules and two Ta5O4 clusters. In each Ta5O4 cluster, there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a distorted single-bond geometry to one O atom. The Ta–O bond length is 1.84 Å. In the second Ta site, Ta is bonded in a tetrahedral geometry to four equivalent O atoms. All Ta–O bond lengths are 1.88 Å. O is bonded in a distorted linear geometry to two Ta atoms.},

  doi          = {10.17188/1202044},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1202044

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