Materials Data on Ta2Al by Materials Project

doi:10.17188/1279872

Title: Materials Data on Ta2Al by Materials Project

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Abstract

Ta2Al is beta Plutonium-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are three inequivalent Ta sites. In the first Ta site, Ta is bonded in a 11-coordinate geometry to nine Ta and five Al atoms. There are a spread of Ta–Ta bond distances ranging from 2.69–3.30 Å. There are a spread of Ta–Al bond distances ranging from 2.97–3.13 Å. In the second Ta site, Ta is bonded in a 12-coordinate geometry to seven Ta and five Al atoms. There are one shorter (2.82 Å) and two longer (3.19 Å) Ta–Ta bond lengths. There are a spread of Ta–Al bond distances ranging from 2.68–2.90 Å. In the third Ta site, Ta is bonded in a 2-coordinate geometry to eleven Ta and four Al atoms. The Ta–Ta bond length is 2.72 Å. There are two shorter (2.72 Å) and two longer (3.03 Å) Ta–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to nine Ta and one Al atom. The Al–Al bond length is 2.79 Å. In the second Al site, Al is bonded to twelve Ta atoms to form edge-sharing AlTa12 cuboctahedra.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-639874

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; Ta2Al; Al-Ta

OSTI Identifier:: 1279872

DOI:: https://doi.org/10.17188/1279872

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                    The Materials Project. Materials Data on Ta2Al by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1279872.

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                    The Materials Project. Materials Data on Ta2Al by Materials Project.  United States.  doi:https://doi.org/10.17188/1279872

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                    The Materials Project. 2020.  
"Materials Data on Ta2Al by Materials Project".  United States.  doi:https://doi.org/10.17188/1279872.  https://www.osti.gov/servlets/purl/1279872. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1279872,

  title        = {Materials Data on Ta2Al by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ta2Al is beta Plutonium-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are three inequivalent Ta sites. In the first Ta site, Ta is bonded in a 11-coordinate geometry to nine Ta and five Al atoms. There are a spread of Ta–Ta bond distances ranging from 2.69–3.30 Å. There are a spread of Ta–Al bond distances ranging from 2.97–3.13 Å. In the second Ta site, Ta is bonded in a 12-coordinate geometry to seven Ta and five Al atoms. There are one shorter (2.82 Å) and two longer (3.19 Å) Ta–Ta bond lengths. There are a spread of Ta–Al bond distances ranging from 2.68–2.90 Å. In the third Ta site, Ta is bonded in a 2-coordinate geometry to eleven Ta and four Al atoms. The Ta–Ta bond length is 2.72 Å. There are two shorter (2.72 Å) and two longer (3.03 Å) Ta–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to nine Ta and one Al atom. The Al–Al bond length is 2.79 Å. In the second Al site, Al is bonded to twelve Ta atoms to form edge-sharing AlTa12 cuboctahedra.},

  doi          = {10.17188/1279872},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1279872

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