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DOE OSTI2020

Materials Data on TiGaFe2 by Materials Project

Fe2TiGa is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a distorted body-centered cubic geometry to eight equivalent Fe and six equivalent Ga atoms. All Ti–Fe bond lengths are 2.51 Å. All Ti–Ga bond lengths are 2.90 Å. Fe is bonded in a distorted body-centered cubic geometry to four equivalent Ti and four equivalent Ga atoms. All Fe–Ga bond lengths are 2.51 Å. Ga is bonded in a 8-coordinate geometry to six equivalent Ti and eight equivalent Fe atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Ti2GaFe by Materials Project

Ti2FeGa is Zintl Phase-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 4-coordinate geometry to four equivalent Ti, six equivalent Fe, and four equivalent Ga atoms. All Ti–Ti bond lengths are 2.65 Å. All Ti–Fe bond lengths are 3.06 Å. All Ti–Ga bond lengths are 2.65 Å. In the second Ti site, Ti is bonded in a 4-coordinate geometry to four equivalent Ti, four equivalent Fe, and six equivalent Ga atoms. All Ti–Fe bond lengths are 2.65 Å. All Ti–Ga bond lengths are 3.06 Å. Fe is bonded in a 8-coordinate geometry to ten Ti and four equivalent Ga atoms. All Fe–Ga bond lengths are 2.65 Å. Ga is bonded in a 8-coordinate geometry to ten Ti and four equivalent Fe atoms.

36 MATERIALS SCIENCE↗