Materials Data on Zr6Ga2Fe by Materials Project
Zr6FeGa2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 2-coordinate geometry to two equivalent Fe and two equivalent Ga atoms. Both Zr–Fe bond lengths are 2.58 Å. Both Zr–Ga bond lengths are 3.02 Å. In the second Zr site, Zr is bonded in a 5-coordinate geometry to one Fe and four equivalent Ga atoms. The Zr–Fe bond length is 3.16 Å. All Zr–Ga bond lengths are 2.94 Å. Fe is bonded in a 6-coordinate geometry to nine Zr atoms. Ga is bonded in a 9-coordinate geometry to nine Zr atoms.
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