Materials Data on ZrFeAs by Materials Project
ZrFeAs crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr is bonded in a 5-coordinate geometry to six equivalent Fe and five equivalent As atoms. There are a spread of Zr–Fe bond distances ranging from 2.85–3.10 Å. There are four shorter (2.78 Å) and one longer (2.79 Å) Zr–As bond lengths. Fe is bonded in a 4-coordinate geometry to six equivalent Zr and four equivalent As atoms. There are a spread of Fe–As bond distances ranging from 2.40–2.50 Å. As is bonded in a 9-coordinate geometry to five equivalent Zr and four equivalent Fe atoms.
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