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DOE OSTI · 1317470

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.

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36 MATERIALS SCIENCEAl-Cr-Ticrystal structureTi2AlCr

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2020-06-04. Materials Data on Ti2AlCr by Materials Project. https://doi.org/10.17188/1317470

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