Materials Data on Zr3Fe by Materials Project

Zr3Fe crystallizes in the orthorhombic Cmcm space group. The structure is one-dimensional and consists of four Zr3Fe ribbons oriented in the (1, 0, 0) direction. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 2-coordinate geometry to two equivalent Fe atoms. Both Zr–Fe bond lengths are 2.60 Å. In the second Zr site, Zr is bonded in a 2-coordinate geometry to two equivalent Fe atoms. Both Zr–Fe bond lengths are 2.65 Å. Fe is bonded in a 6-coordinate geometry to six Zr atoms.