Materials Data on Ta3Re by Materials Project

doi:10.17188/1685391

Title: Materials Data on Ta3Re by Materials Project

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Abstract

Ta3Re is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded to four equivalent Ta and four equivalent Re atoms to form a mixture of distorted corner, edge, and face-sharing TaTa4Re4 tetrahedra. All Ta–Ta bond lengths are 2.82 Å. All Ta–Re bond lengths are 2.82 Å. In the second Ta site, Ta is bonded in a 8-coordinate geometry to eight equivalent Ta and six equivalent Re atoms. All Ta–Re bond lengths are 3.25 Å. Re is bonded in a distorted body-centered cubic geometry to fourteen Ta atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1187203

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; Ta3Re; Re-Ta

OSTI Identifier:: 1685391

DOI:: https://doi.org/10.17188/1685391

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                    The Materials Project. Materials Data on Ta3Re by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1685391.

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                    The Materials Project. Materials Data on Ta3Re by Materials Project.  United States.  doi:https://doi.org/10.17188/1685391

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                    The Materials Project. 2020.  
"Materials Data on Ta3Re by Materials Project".  United States.  doi:https://doi.org/10.17188/1685391.  https://www.osti.gov/servlets/purl/1685391. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1685391,

  title        = {Materials Data on Ta3Re by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ta3Re is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded to four equivalent Ta and four equivalent Re atoms to form a mixture of distorted corner, edge, and face-sharing TaTa4Re4 tetrahedra. All Ta–Ta bond lengths are 2.82 Å. All Ta–Re bond lengths are 2.82 Å. In the second Ta site, Ta is bonded in a 8-coordinate geometry to eight equivalent Ta and six equivalent Re atoms. All Ta–Re bond lengths are 3.25 Å. Re is bonded in a distorted body-centered cubic geometry to fourteen Ta atoms.},

  doi          = {10.17188/1685391},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1685391

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