Materials Data on Th2SiGe by Materials Project

Abstract

Th2GeSi crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded in a 7-coordinate geometry to three equivalent Ge and four equivalent Si atoms. There are a spread of Th–Ge bond distances ranging from 3.12–3.28 Å. There are two shorter (3.05 Å) and two longer (3.09 Å) Th–Si bond lengths. In the second Th site, Th is bonded in a 7-coordinate geometry to four equivalent Ge and three equivalent Si atoms. There are two shorter (3.07 Å) and two longer (3.09 Å) Th–Ge bond lengths. There are a spread of Th–Si bond distances ranging from 3.07–3.30 Å. Ge is bonded in a 9-coordinate geometry to seven Th and two equivalent Si atoms. Both Ge–Si bond lengths are 2.80 Å. Si is bonded in a 9-coordinate geometry to seven Th and two equivalent Ge atoms.