Materials Data on Gd2Al3Ge4 by Materials Project

Abstract

Gd2Al3Ge4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Gd is bonded in a 8-coordinate geometry to six Al and eight Ge atoms. There are a spread of Gd–Al bond distances ranging from 3.20–3.47 Å. There are a spread of Gd–Ge bond distances ranging from 3.12–3.19 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 6-coordinate geometry to four equivalent Gd and six Ge atoms. There are four shorter (2.58 Å) and two longer (2.80 Å) Al–Ge bond lengths. In the second Al site, Al is bonded in a 5-coordinate geometry to four equivalent Gd and five Ge atoms. There are a spread of Al–Ge bond distances ranging from 2.55–2.86 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Gd, three Al, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.94 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Gd and five Al atoms.