Materials Data on Tm3Ga2Ge3 by Materials Project

Abstract

Tm3Ga2Ge3 crystallizes in the tetragonal I4cm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 8-coordinate geometry to three equivalent Ga and five Ge atoms. There are one shorter (2.98 Å) and two longer (3.09 Å) Tm–Ga bond lengths. There are three shorter (2.92 Å) and two longer (3.12 Å) Tm–Ge bond lengths. In the second Tm site, Tm is bonded in a 2-coordinate geometry to four equivalent Ga and six Ge atoms. All Tm–Ga bond lengths are 3.10 Å. There are a spread of Tm–Ge bond distances ranging from 2.71–3.05 Å. Ga is bonded in a 8-coordinate geometry to five Tm and three equivalent Ge atoms. There are two shorter (2.64 Å) and one longer (2.75 Å) Ga–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to six Tm atoms to form corner-sharing GeTm6 octahedra. The corner-sharing octahedra tilt angles range from 0–39°. In the second Ge site, Ge is bonded in a 8-coordinate geometry to five Tm and three equivalent Ga atoms.