Materials Data on Ti2AlCr by Materials Project

doi:10.17188/1317470

Title: Materials Data on Ti2AlCr by Materials Project

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Abstract

Ti2CrAl is Tungsten-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 8-coordinate geometry to four equivalent Ti, six equivalent Cr, and four equivalent Al atoms. All Ti–Ti bond lengths are 2.73 Å. All Ti–Cr bond lengths are 3.15 Å. All Ti–Al bond lengths are 2.73 Å. In the second Ti site, Ti is bonded in a 8-coordinate geometry to four equivalent Ti, four equivalent Cr, and six equivalent Al atoms. All Ti–Cr bond lengths are 2.73 Å. All Ti–Al bond lengths are 3.15 Å. Cr is bonded in a distorted body-centered cubic geometry to ten Ti and four equivalent Al atoms. All Cr–Al bond lengths are 2.73 Å. Al is bonded in a distorted body-centered cubic geometry to ten Ti and four equivalent Cr atoms.

Authors:: The Materials Project

Publication Date:: Thu Jun 04 00:00:00 EDT 2020

Other Number(s):: mp-999096

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; Ti2AlCr; Al-Cr-Ti

OSTI Identifier:: 1317470

DOI:: https://doi.org/10.17188/1317470

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                    The Materials Project. Materials Data on Ti2AlCr by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1317470.

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                    The Materials Project. Materials Data on Ti2AlCr by Materials Project.  United States.  doi:https://doi.org/10.17188/1317470

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                    The Materials Project. 2020.  
"Materials Data on Ti2AlCr by Materials Project".  United States.  doi:https://doi.org/10.17188/1317470.  https://www.osti.gov/servlets/purl/1317470. Pub date:Thu Jun 04 00:00:00 EDT 2020

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@article{osti_1317470,

  title        = {Materials Data on Ti2AlCr by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ti2CrAl is Tungsten-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 8-coordinate geometry to four equivalent Ti, six equivalent Cr, and four equivalent Al atoms. All Ti–Ti bond lengths are 2.73 Å. All Ti–Cr bond lengths are 3.15 Å. All Ti–Al bond lengths are 2.73 Å. In the second Ti site, Ti is bonded in a 8-coordinate geometry to four equivalent Ti, four equivalent Cr, and six equivalent Al atoms. All Ti–Cr bond lengths are 2.73 Å. All Ti–Al bond lengths are 3.15 Å. Cr is bonded in a distorted body-centered cubic geometry to ten Ti and four equivalent Al atoms. All Cr–Al bond lengths are 2.73 Å. Al is bonded in a distorted body-centered cubic geometry to ten Ti and four equivalent Cr atoms.},

  doi          = {10.17188/1317470},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jun 04 00:00:00 EDT 2020},

  month        = {Thu Jun 04 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1317470

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