Materials Data on La(TiAl10)2 by Materials Project

doi:10.17188/1727055

Title: Materials Data on La(TiAl10)2 by Materials Project

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Abstract

Ti2Al20La crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. La is bonded in a 4-coordinate geometry to sixteen Al atoms. There are four shorter (3.20 Å) and twelve longer (3.27 Å) La–Al bond lengths. Ti is bonded to twelve Al atoms to form corner-sharing TiAl12 cuboctahedra. There are six shorter (2.62 Å) and six longer (2.85 Å) Ti–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to one La, one Ti, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.76–2.97 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Ti and ten Al atoms. All Al–Al bond lengths are 2.87 Å. In the third Al site, Al is bonded in a linear geometry to two equivalent La atoms.

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-1200087

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; La(TiAl10)2; Al-La-Ti

OSTI Identifier:: 1727055

DOI:: https://doi.org/10.17188/1727055

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                    The Materials Project. Materials Data on La(TiAl10)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1727055.

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                    The Materials Project. Materials Data on La(TiAl10)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1727055

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                    The Materials Project. 2020.  
"Materials Data on La(TiAl10)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1727055.  https://www.osti.gov/servlets/purl/1727055. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1727055,

  title        = {Materials Data on La(TiAl10)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ti2Al20La crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. La is bonded in a 4-coordinate geometry to sixteen Al atoms. There are four shorter (3.20 Å) and twelve longer (3.27 Å) La–Al bond lengths. Ti is bonded to twelve Al atoms to form corner-sharing TiAl12 cuboctahedra. There are six shorter (2.62 Å) and six longer (2.85 Å) Ti–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to one La, one Ti, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.76–2.97 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Ti and ten Al atoms. All Al–Al bond lengths are 2.87 Å. In the third Al site, Al is bonded in a linear geometry to two equivalent La atoms.},

  doi          = {10.17188/1727055},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1727055

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