Materials Data on Dy4Ge6Ir7 by Materials Project

Abstract

Dy4Ir7Ge6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Dy is bonded to six equivalent Ir and six equivalent Ge atoms to form DyGe6Ir6 cuboctahedra that share corners with twelve equivalent DyGe6Ir6 cuboctahedra, faces with six equivalent DyGe6Ir6 cuboctahedra, and faces with two equivalent IrGe6 octahedra. All Dy–Ir bond lengths are 2.97 Å. All Dy–Ge bond lengths are 3.03 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded to six equivalent Ge atoms to form IrGe6 octahedra that share faces with eight equivalent DyGe6Ir6 cuboctahedra. All Ir–Ge bond lengths are 2.67 Å. In the second Ir site, Ir is bonded in a 12-coordinate geometry to four equivalent Dy and four equivalent Ge atoms. All Ir–Ge bond lengths are 2.60 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Dy and five Ir atoms.