GdFe2Si2 crystallizes in the tetragonal I4/mmm space group. Gd(1) is bonded in a 16-coordinate geometry to eight equivalent Fe(1) and eight equivalent Si(1) atoms. Fe(1) is bonded to four equivalent Gd(1) and four equivalent Si(1) atoms to form a mixture of distorted face, corner, and edge-sharing FeGd4Si4 tetrahedra. Si(1) is bonded in a 9-coordinate geometry to four equivalent Gd(1), four equivalent Fe(1), and one Si(1) atom.
GdFe2Si2 crystallizes in the tetragonal I4/mmm space group. Gd(1) is bonded in a 16-coordinate geometry to eight equivalent Fe(1) and eight equivalent Si(1) atoms. All Gd(1)-Fe(1) bond lengths are 3.15 Å. All Gd(1)-Si(1) bond lengths are 3.04 Å. Fe(1) is bonded to four equivalent Gd(1) and four equivalent Si(1) atoms to form a mixture of distorted face, corner, and edge-sharing FeGd4Si4 tetrahedra. All Fe(1)-Si(1) bond lengths are 2.28 Å. Si(1) is bonded in a 9-coordinate geometry to four equivalent Gd(1), four equivalent Fe(1), and one Si(1) atom. The Si(1)-Si(1) bond length is 2.58 Å.