Materials Data on AlGe3 by Materials Project

Abstract

AlGe3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Al is bonded to twelve Ge atoms to form AlGe12 cuboctahedra that share corners with four equivalent AlGe12 cuboctahedra, edges with eight equivalent AlGe12 cuboctahedra, edges with sixteen equivalent GeAl4Ge8 cuboctahedra, faces with four equivalent AlGe12 cuboctahedra, and faces with eight equivalent GeAl4Ge8 cuboctahedra. There are four shorter (2.86 Å) and eight longer (3.05 Å) Al–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to four equivalent Al and eight Ge atoms to form distorted GeAl4Ge8 cuboctahedra that share corners with twelve equivalent GeAl4Ge8 cuboctahedra, edges with eight equivalent AlGe12 cuboctahedra, edges with eight equivalent GeAl4Ge8 cuboctahedra, faces with four equivalent AlGe12 cuboctahedra, and faces with ten equivalent GeAl4Ge8 cuboctahedra. There are four shorter (2.86 Å) and four longer (3.05 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a square co-planar geometry to four equivalent Al and eight equivalent Ge atoms.