ZrSiSe crystallizes in the tetragonal P4/nmm space group. Zr(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 Zr(1) and four equivalent Si(1) atoms. Se(1) is bonded in a 5-coordinate geometry to five equivalent Zr(1) atoms.
ZrSiSe crystallizes in the tetragonal P4/nmm space group. Zr(1) is bonded in a 9-coordinate geometry to four equivalent Si(1) and five equivalent Se(1) atoms. All Zr(1)-Si(1) bond lengths are 2.81 Å. There are four shorter (2.76 Å) and one longer (3.29 Å) Zr(1)-Se(1) bond length. Si(1) is bonded in a 8-coordinate geometry to four equivalent Zr(1) and four equivalent Si(1) atoms. All Si(1)-Si(1) bond lengths are 2.55 Å. Se(1) is bonded in a 5-coordinate geometry to five equivalent Zr(1) atoms.