NdZn2Si2 crystallizes in the tetragonal I4/mmm space group. Nd(1) is bonded in a 16-coordinate geometry to eight equivalent Zn(1) and eight equivalent Si(1) atoms. Zn(1) is bonded to four equivalent Nd(1) and four equivalent Si(1) atoms to form a mixture of distorted face, corner, and edge-sharing ZnNd4Si4 tetrahedra. Si(1) is bonded in a 9-coordinate geometry to four equivalent Nd(1), four equivalent Zn(1), and one Si(1) atom.
NdZn2Si2 crystallizes in the tetragonal I4/mmm space group. Nd(1) is bonded in a 16-coordinate geometry to eight equivalent Zn(1) and eight equivalent Si(1) atoms. All Nd(1)-Zn(1) bond lengths are 3.36 Å. All Nd(1)-Si(1) bond lengths are 3.15 Å. Zn(1) is bonded to four equivalent Nd(1) and four equivalent Si(1) atoms to form a mixture of distorted face, corner, and edge-sharing ZnNd4Si4 tetrahedra. All Zn(1)-Si(1) bond lengths are 2.52 Å. Si(1) is bonded in a 9-coordinate geometry to four equivalent Nd(1), four equivalent Zn(1), and one Si(1) atom. The Si(1)-Si(1) bond length is 2.40 Å.