Materials Data on Ti5FeSb2 by Materials Project
Ti5FeSb2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 6-coordinate geometry to two equivalent Fe and four equivalent Sb atoms. Both Ti–Fe bond lengths are 2.55 Å. There are a spread of Ti–Sb bond distances ranging from 2.81–3.11 Å. In the second Ti site, Ti is bonded in a 6-coordinate geometry to two equivalent Ti and four equivalent Sb atoms. Both Ti–Ti bond lengths are 2.57 Å. All Ti–Sb bond lengths are 2.75 Å. Fe is bonded in a 10-coordinate geometry to eight equivalent Ti and two equivalent Fe atoms. Both Fe–Fe bond lengths are 2.57 Å. Sb is bonded in a 10-coordinate geometry to ten Ti atoms.
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