Materials Data on GdAlCu by Materials Project

Abstract

GdCuAl crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are three inequivalent Gd sites. In the first Gd site, Gd is bonded in a 5-coordinate geometry to five Cu and six Al atoms. There are a spread of Gd–Cu bond distances ranging from 2.93–2.97 Å. There are two shorter (3.22 Å) and four longer (3.26 Å) Gd–Al bond lengths. In the second Gd site, Gd is bonded in a 5-coordinate geometry to five Cu and six Al atoms. There are a spread of Gd–Cu bond distances ranging from 2.92–2.95 Å. There are two shorter (3.22 Å) and four longer (3.26 Å) Gd–Al bond lengths. In the third Gd site, Gd is bonded in a 5-coordinate geometry to five Cu and six Al atoms. There are a spread of Gd–Cu bond distances ranging from 2.92–2.94 Å. There are a spread of Gd–Al bond distances ranging from 3.22–3.27 Å. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to six Gd and three Al atoms. There are a spread of Cu–Al bond distances ranging from 2.75–2.79 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to six Gd and three Al atoms. There are a spread of Cu–Al bond distances ranging from 2.75–2.79 Å. In the third Cu site, Cu is bonded in a distorted q6 geometry to three Gd and six Al atoms. There are two shorter (2.62 Å) and four longer (2.63 Å) Cu–Al bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to six Gd, four Cu, and two Al atoms. Both Al–Al bond lengths are 2.84 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to six Gd, four Cu, and two Al atoms. The Al–Al bond length is 2.84 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to six Gd, four Cu, and two Al atoms.