Materials Data on HfFeAs by Materials Project
HfFeAs crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hf is bonded in a 5-coordinate geometry to six equivalent Fe and five equivalent As atoms. There are a spread of Hf–Fe bond distances ranging from 2.83–3.03 Å. There are two shorter (2.74 Å) and three longer (2.75 Å) Hf–As bond lengths. Fe is bonded in a 4-coordinate geometry to six equivalent Hf and four equivalent As atoms. There are a spread of Fe–As bond distances ranging from 2.38–2.46 Å. As is bonded in a 9-coordinate geometry to five equivalent Hf and four equivalent Fe atoms.
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