NdNi2Si2 crystallizes in the tetragonal I4/mmm space group. Nd(1) is bonded in a 16-coordinate geometry to eight equivalent Ni(1) and eight equivalent Si(1) atoms. Ni(1) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to four equivalent Nd(1), four equivalent Ni(1), and one Si(1) atom.
NdNi2Si2 crystallizes in the tetragonal I4/mmm space group. Nd(1) is bonded in a 16-coordinate geometry to eight equivalent Ni(1) and eight equivalent Si(1) atoms. All Nd(1)-Ni(1) bond lengths are 3.13 Å. All Nd(1)-Si(1) bond lengths are 3.12 Å. Ni(1) is bonded in a 8-coordinate geometry to four equivalent Nd(1) and four equivalent Si(1) atoms. All Ni(1)-Si(1) bond lengths are 2.31 Å. Si(1) is bonded in a 9-coordinate geometry to four equivalent Nd(1), four equivalent Ni(1), and one Si(1) atom. The Si(1)-Si(1) bond length is 2.52 Å.