Materials Data on Gd(AlSi)2 by Materials Project
Gd(AlSi)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Gd is bonded to six equivalent Si atoms to form distorted GdSi6 octahedra that share corners with twelve equivalent AlSi4 tetrahedra, edges with six equivalent GdSi6 octahedra, and edges with six equivalent AlSi4 tetrahedra. All Gd–Si bond lengths are 2.99 Å. Al is bonded to four equivalent Si atoms to form distorted AlSi4 tetrahedra that share corners with six equivalent GdSi6 octahedra, corners with six equivalent AlSi4 tetrahedra, edges with three equivalent GdSi6 octahedra, and edges with three equivalent AlSi4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–54°. There are three shorter (2.51 Å) and one longer (2.54 Å) Al–Si bond lengths. Si is bonded to three equivalent Gd and four equivalent Al atoms to form a mixture of distorted corner and edge-sharing SiGd3Al4 pentagonal bipyramids.