Zr(NiSi)2 crystallizes in the tetragonal I4/mmm space group. Zr(1) is bonded in a 16-coordinate geometry to eight equivalent Ni(1) and eight equivalent Si(1) atoms. Ni(1) is bonded to four equivalent Zr(1), four equivalent Ni(1), and four equivalent Si(1) atoms to form a mixture of distorted corner, edge, and face-sharing NiZr4Si4Ni4 cuboctahedra. Si(1) is bonded in a 9-coordinate geometry to four equivalent Zr(1), four equivalent Ni(1), and one Si(1) atom.
Zr(NiSi)2 crystallizes in the tetragonal I4/mmm space group. Zr(1) is bonded in a 16-coordinate geometry to eight equivalent Ni(1) and eight equivalent Si(1) atoms. All Zr(1)-Ni(1) bond lengths are 3.05 Å. All Zr(1)-Si(1) bond lengths are 2.90 Å. Ni(1) is bonded to four equivalent Zr(1), four equivalent Ni(1), and four equivalent Si(1) atoms to form a mixture of distorted corner, edge, and face-sharing NiZr4Si4Ni4 cuboctahedra. All Ni(1)-Ni(1) bond lengths are 2.65 Å. All Ni(1)-Si(1) bond lengths are 2.25 Å. Si(1) is bonded in a 9-coordinate geometry to four equivalent Zr(1), four equivalent Ni(1), and one Si(1) atom. The Si(1)-Si(1) bond length is 2.32 Å.