Materials Data on Hf2Al3Ag by Materials Project
Hf2AgAl3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to four equivalent Hf, three equivalent Ag, and nine equivalent Al atoms. There are one shorter (3.16 Å) and three longer (3.28 Å) Hf–Hf bond lengths. All Hf–Ag bond lengths are 3.13 Å. There are six shorter (3.10 Å) and three longer (3.12 Å) Hf–Al bond lengths. Ag is bonded to six equivalent Hf and six equivalent Al atoms to form AgHf6Al6 cuboctahedra that share corners with six equivalent AgHf6Al6 cuboctahedra, corners with twelve equivalent AlHf6Al4Ag2 cuboctahedra, edges with six equivalent AgHf6Al6 cuboctahedra, and faces with eighteen equivalent AlHf6Al4Ag2 cuboctahedra. All Ag–Al bond lengths are 2.64 Å. Al is bonded to six equivalent Hf, two equivalent Ag, and four equivalent Al atoms to form AlHf6Al4Ag2 cuboctahedra that share corners with four equivalent AgHf6Al6 cuboctahedra, corners with fourteen equivalent AlHf6Al4Ag2 cuboctahedra, edges with six equivalent AlHf6Al4Ag2 cuboctahedra, faces with six equivalent AgHf6Al6 cuboctahedra, and faces with twelve equivalent AlHf6Al4Ag2 cuboctahedra. All Al–Al bond lengths are 2.67 Å.