Materials Data on Al6Fe by Materials Project
Al6Fe crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Fe is bonded in a distorted q6 geometry to ten Al atoms. There are a spread of Fe–Al bond distances ranging from 2.43–2.61 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Fe and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.64–2.90 Å. In the second Al site, Al is bonded in a 1-coordinate geometry to one Fe and four equivalent Al atoms. In the third Al site, Al is bonded in a 1-coordinate geometry to one Fe and four equivalent Al atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Fe and four equivalent Al atoms.
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