Materials Data on Y2Al3Si2 by Materials Project

doi:10.17188/1313031

Title: Materials Data on Y2Al3Si2 by Materials Project

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Abstract

Y2Al3Si2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to six Al and five equivalent Si atoms. There are a spread of Y–Al bond distances ranging from 3.03–3.25 Å. There are a spread of Y–Si bond distances ranging from 2.89–3.01 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted water-like geometry to four equivalent Y and two equivalent Si atoms. Both Al–Si bond lengths are 2.61 Å. In the second Al site, Al is bonded in a 6-coordinate geometry to four equivalent Y and two equivalent Si atoms. Both Al–Si bond lengths are 2.73 Å. Si is bonded in a 9-coordinate geometry to five equivalent Y, three Al, and one Si atom. The Si–Si bond length is 2.39 Å.

Authors:: The Materials Project

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

Other Number(s):: mp-9177

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; Y2Al3Si2; Al-Si-Y

OSTI Identifier:: 1313031

DOI:: https://doi.org/10.17188/1313031

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                    The Materials Project. Materials Data on Y2Al3Si2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1313031.

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                    The Materials Project. Materials Data on Y2Al3Si2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1313031

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                    The Materials Project. 2020.  
"Materials Data on Y2Al3Si2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1313031.  https://www.osti.gov/servlets/purl/1313031. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1313031,

  title        = {Materials Data on Y2Al3Si2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Y2Al3Si2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to six Al and five equivalent Si atoms. There are a spread of Y–Al bond distances ranging from 3.03–3.25 Å. There are a spread of Y–Si bond distances ranging from 2.89–3.01 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted water-like geometry to four equivalent Y and two equivalent Si atoms. Both Al–Si bond lengths are 2.61 Å. In the second Al site, Al is bonded in a 6-coordinate geometry to four equivalent Y and two equivalent Si atoms. Both Al–Si bond lengths are 2.73 Å. Si is bonded in a 9-coordinate geometry to five equivalent Y, three Al, and one Si atom. The Si–Si bond length is 2.39 Å.},

  doi          = {10.17188/1313031},

  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/10.17188/1313031

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