Zr(FeSi)2 crystallizes in the tetragonal I4/mmm space group. Zr(1) is bonded in a 16-coordinate geometry to eight equivalent Fe(1) and eight equivalent Si(1) atoms. Fe(1) is bonded in a 4-coordinate geometry to four equivalent Zr(1) and four equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to four equivalent Zr(1), four equivalent Fe(1), and one Si(1) atom.
Zr(FeSi)2 crystallizes in the tetragonal I4/mmm space group. Zr(1) is bonded in a 16-coordinate geometry to eight equivalent Fe(1) and eight equivalent Si(1) atoms. All Zr(1)-Fe(1) bond lengths are 2.99 Å. All Zr(1)-Si(1) bond lengths are 2.97 Å. Fe(1) is bonded in a 4-coordinate geometry to four equivalent Zr(1) and four equivalent Si(1) atoms. All Fe(1)-Si(1) bond lengths are 2.21 Å. Si(1) is bonded in a 9-coordinate geometry to four equivalent Zr(1), four equivalent Fe(1), and one Si(1) atom. The Si(1)-Si(1) bond length is 2.39 Å.