Materials Data on Gd2Al4CoGe2 by Materials Project

Abstract

Gd2CoAl4Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd is bonded in a 5-coordinate geometry to four equivalent Al and five equivalent Ge atoms. All Gd–Al bond lengths are 3.11 Å. There are four shorter (2.97 Å) and one longer (3.04 Å) Gd–Ge bond lengths. Co is bonded in a body-centered cubic geometry to eight Al atoms. All Co–Al bond lengths are 2.44 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 4-coordinate geometry to two equivalent Gd, two equivalent Co, five equivalent Al, and two equivalent Ge atoms. Both Al–Co bond lengths are 2.44 Å. There are one shorter (2.57 Å) and four longer (2.93 Å) Al–Al bond lengths. Both Al–Ge bond lengths are 2.80 Å. In the second Al site, Al is bonded in a 4-coordinate geometry to two equivalent Gd, two equivalent Co, five Al, and two equivalent Ge atoms. Both Al–Gd bond lengths are 3.11 Å. There are one shorter (2.57 Å) and four longer (2.93 Å) Al–Al bond lengths. Both Al–Ge bond lengths are 2.80 Å. In the third Al site, Al is bonded in a 4-coordinate geometry to two equivalent Gd, two equivalent Co, five Al, and two equivalent Ge atoms. Both Al–Gd bond lengths are 3.11 Å. All Al–Al bond lengths are 2.93 Å. Both Al–Ge bond lengths are 2.80 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Gd and four equivalent Al atoms.