Materials Data on TaFeAs by Materials Project
TaFeAs crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ta is bonded in a 5-coordinate geometry to six equivalent Fe and five equivalent As atoms. There are a spread of Ta–Fe bond distances ranging from 2.82–2.96 Å. There are a spread of Ta–As bond distances ranging from 2.65–2.69 Å. Fe is bonded in a 4-coordinate geometry to six equivalent Ta and four equivalent As atoms. There are a spread of Fe–As bond distances ranging from 2.35–2.41 Å. As is bonded in a 9-coordinate geometry to five equivalent Ta and four equivalent Fe atoms.
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