Materials Data on Y(Al5Fe)2 by Materials Project

Abstract

YFe2Al10 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 10-coordinate geometry to four equivalent Fe and sixteen Al atoms. All Y–Fe bond lengths are 3.41 Å. There are a spread of Y–Al bond distances ranging from 3.10–3.65 Å. Fe is bonded in a 10-coordinate geometry to two equivalent Y and ten Al atoms. There are a spread of Fe–Al bond distances ranging from 2.51–2.71 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Y, two equivalent Fe, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.59–2.82 Å. In the second Al site, Al is bonded to one Y, two equivalent Fe, and nine Al atoms to form a mixture of distorted corner and face-sharing AlYAl9Fe2 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.70–3.00 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Y, two equivalent Fe, and eight Al atoms. There are a spread of Al–Al bond distances ranging from 2.56–2.74 Å. In the fourth Al site, Al is bonded in a 2-coordinate geometry to one Y, two equivalent Fe, and eight Al atoms. There are one shorter (2.69 Å) and two longer (2.78 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Y, two equivalent Fe, and eight Al atoms.