Materials Data on Sc4Ge6Os7 by Materials Project

Sc4Os7Ge6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Sc is bonded to six equivalent Os and six equivalent Ge atoms to form ScGe6Os6 cuboctahedra that share corners with twelve equivalent ScGe6Os6 cuboctahedra, faces with six equivalent ScGe6Os6 cuboctahedra, and faces with two equivalent OsGe6 octahedra. All Sc–Os bond lengths are 2.89 Å. All Sc–Ge bond lengths are 2.93 Å. There are two inequivalent Os sites. In the first Os site, Os is bonded to six equivalent Ge atoms to form OsGe6 octahedra that share faces with eight equivalent ScGe6Os6 cuboctahedra. All Os–Ge bond lengths are 2.50 Å. In the second Os site, Os is bonded in a 12-coordinate geometry to four equivalent Sc and four equivalent Ge atoms. All Os–Ge bond lengths are 2.59 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Sc and five Os atoms.