ScHf5Si4 crystallizes in the tetragonal P4/m space group. Sc(1) is bonded in a square co-planar geometry to four equivalent Si(1) atoms. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 6-coordinate geometry to six equivalent Si(1) atoms. In the second Hf site, Hf(2) is bonded in a square co-planar geometry to four equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to one Sc(1), one Hf(2), six equivalent Hf(1), and one Si(1) atom.
ScHf5Si4 crystallizes in the tetragonal P4/m space group. Sc(1) is bonded in a square co-planar geometry to four equivalent Si(1) atoms. All Sc(1)-Si(1) bond lengths are 2.78 Å. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 6-coordinate geometry to six equivalent Si(1) atoms. There are a spread of Hf(1)-Si(1) bond distances ranging from 2.75-2.82 Å. In the second Hf site, Hf(2) is bonded in a square co-planar geometry to four equivalent Si(1) atoms. All Hf(2)-Si(1) bond lengths are 2.78 Å. Si(1) is bonded in a 9-coordinate geometry to one Sc(1), one Hf(2), six equivalent Hf(1), and one Si(1) atom. The Si(1)-Si(1) bond length is 2.46 Å.