Materials Data on Al6Tc by Materials Project

doi:10.17188/1192115

Title: Materials Data on Al6Tc by Materials Project

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Abstract

TcAl6 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tc is bonded in a distorted q6 geometry to ten Al atoms. There are a spread of Tc–Al bond distances ranging from 2.52–2.67 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Tc and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.69–2.96 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent Tc and eight Al atoms. All Al–Al bond lengths are 2.97 Å. In the third Al site, Al is bonded in a 1-coordinate geometry to one Tc and ten Al atoms. There are one shorter (2.53 Å) and one longer (2.70 Å) Al–Al bond lengths.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-16718

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; Al6Tc; Al-Tc

OSTI Identifier:: 1192115

DOI:: https://doi.org/10.17188/1192115

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                    The Materials Project. Materials Data on Al6Tc by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192115.

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                    The Materials Project. Materials Data on Al6Tc by Materials Project.  United States.  doi:https://doi.org/10.17188/1192115

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                    The Materials Project. 2020.  
"Materials Data on Al6Tc by Materials Project".  United States.  doi:https://doi.org/10.17188/1192115.  https://www.osti.gov/servlets/purl/1192115. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1192115,

  title        = {Materials Data on Al6Tc by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TcAl6 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tc is bonded in a distorted q6 geometry to ten Al atoms. There are a spread of Tc–Al bond distances ranging from 2.52–2.67 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Tc and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.69–2.96 Å. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent Tc and eight Al atoms. All Al–Al bond lengths are 2.97 Å. In the third Al site, Al is bonded in a 1-coordinate geometry to one Tc and ten Al atoms. There are one shorter (2.53 Å) and one longer (2.70 Å) Al–Al bond lengths.},

  doi          = {10.17188/1192115},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1192115

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