Materials Data on Nb4FeSi by Materials Project
Nb4FeSi is Khatyrkite-derived structured and crystallizes in the tetragonal P4/mcc space group. The structure is three-dimensional. Nb is bonded in a 4-coordinate geometry to two equivalent Fe and two equivalent Si atoms. Both Nb–Fe bond lengths are 2.60 Å. Both Nb–Si bond lengths are 2.71 Å. Fe is bonded in a 10-coordinate geometry to eight equivalent Nb and two equivalent Fe atoms. Both Fe–Fe bond lengths are 2.55 Å. Si is bonded in a 10-coordinate geometry to eight equivalent Nb and two equivalent Si atoms. Both Si–Si bond lengths are 2.55 Å.
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