Materials Data on TiFe2As by Materials Project
Fe2TiAs 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 As atoms. All Ti–Fe bond lengths are 2.51 Å. All Ti–As bond lengths are 2.90 Å. Fe is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent As atoms. All Fe–As bond lengths are 2.51 Å. As is bonded in a distorted body-centered cubic geometry to six equivalent Ti and eight equivalent Fe atoms.
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