Materials Data on Ti2Al3 by Materials Project

doi:10.17188/1707109

Title: Materials Data on Ti2Al3 by Materials Project

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Abstract

Ti2Al3 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ti is bonded in a 12-coordinate geometry to three equivalent Ti and eight Al atoms. There are two shorter (2.81 Å) and one longer (2.84 Å) Ti–Ti bond lengths. There are a spread of Ti–Al bond distances ranging from 2.72–3.13 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to five equivalent Ti and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.67–2.74 Å. In the second Al site, Al is bonded in a 8-coordinate geometry to six equivalent Ti and four equivalent Al atoms.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1208324

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; Ti2Al3; Al-Ti

OSTI Identifier:: 1707109

DOI:: https://doi.org/10.17188/1707109

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                    The Materials Project. Materials Data on Ti2Al3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1707109.

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                    The Materials Project. Materials Data on Ti2Al3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1707109

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                    The Materials Project. 2019.  
"Materials Data on Ti2Al3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1707109.  https://www.osti.gov/servlets/purl/1707109. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1707109,

  title        = {Materials Data on Ti2Al3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ti2Al3 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ti is bonded in a 12-coordinate geometry to three equivalent Ti and eight Al atoms. There are two shorter (2.81 Å) and one longer (2.84 Å) Ti–Ti bond lengths. There are a spread of Ti–Al bond distances ranging from 2.72–3.13 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to five equivalent Ti and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.67–2.74 Å. In the second Al site, Al is bonded in a 8-coordinate geometry to six equivalent Ti and four equivalent Al atoms.},

  doi          = {10.17188/1707109},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1707109

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