HfSiSe crystallizes in the tetragonal P4/nmm space group. Hf(1) is bonded in a 9-coordinate geometry to four equivalent Si(1) and five equivalent Se(1) atoms. Si(1) is bonded in a 8-coordinate geometry to four equivalent Hf(1) and four equivalent Si(1) atoms. Se(1) is bonded in a 4-coordinate geometry to five equivalent Hf(1) atoms.
HfSiSe crystallizes in the tetragonal P4/nmm space group. Hf(1) is bonded in a 9-coordinate geometry to four equivalent Si(1) and five equivalent Se(1) atoms. All Hf(1)-Si(1) bond lengths are 2.77 Å. There are four shorter (2.74 Å) and one longer (3.39 Å) Hf(1)-Se(1) bond length. Si(1) is bonded in a 8-coordinate geometry to four equivalent Hf(1) and four equivalent Si(1) atoms. All Si(1)-Si(1) bond lengths are 2.52 Å. Se(1) is bonded in a 4-coordinate geometry to five equivalent Hf(1) atoms.