LaNiCuSi2 crystallizes in the tetragonal I-4m2 space group. La(1) is bonded in a 16-coordinate geometry to four equivalent Ni(1), four equivalent Cu(1), and eight equivalent Si(1) atoms. Ni(1) is bonded in a 8-coordinate geometry to four equivalent La(1), four equivalent Cu(1), and four equivalent Si(1) atoms. Cu(1) is bonded to four equivalent La(1), four equivalent Ni(1), and four equivalent Si(1) atoms to form a mixture of distorted face and corner-sharing CuLa4Si4Ni4 cuboctahedra. Si(1) is bonded in a 9-coordinate geometry to four equivalent La(1), two equivalent Ni(1), two equivalent Cu(1), and one Si(1) atom.
LaNiCuSi2 crystallizes in the tetragonal I-4m2 space group. La(1) is bonded in a 16-coordinate geometry to four equivalent Ni(1), four equivalent Cu(1), and eight equivalent Si(1) atoms. All La(1)-Ni(1) bond lengths are 3.20 Å. All La(1)-Cu(1) bond lengths are 3.20 Å. All La(1)-Si(1) bond lengths are 3.17 Å. Ni(1) is bonded in a 8-coordinate geometry to four equivalent La(1), four equivalent Cu(1), and four equivalent Si(1) atoms. All Ni(1)-Cu(1) bond lengths are 2.92 Å. All Ni(1)-Si(1) bond lengths are 2.40 Å. Cu(1) is bonded to four equivalent La(1), four equivalent Ni(1), and four equivalent Si(1) atoms to form a mixture of distorted face and corner-sharing CuLa4Si4Ni4 cuboctahedra. All Cu(1)-Si(1) bond lengths are 2.40 Å. Si(1) is bonded in a 9-coordinate geometry to four equivalent La(1), two equivalent Ni(1), two equivalent Cu(1), and one Si(1) atom. The Si(1)-Si(1) bond length is 2.47 Å.