CeCoCuSi2 crystallizes in the tetragonal I-4m2 space group. Ce(1) is bonded in a 16-coordinate geometry to four equivalent Co(1), four equivalent Cu(1), and eight equivalent Si(1) atoms. Co(1) is bonded to four equivalent Ce(1), four equivalent Cu(1), and four equivalent Si(1) atoms to form distorted CoCe4Cu4Si4 cuboctahedra that share corners with four equivalent Cu(1)Ce4Co4Si4 cuboctahedra, corners with twelve equivalent Co(1)Ce4Cu4Si4 cuboctahedra, edges with two equivalent Cu(1)Ce4Co4Si4 cuboctahedra, faces with four equivalent Co(1)Ce4Cu4Si4 cuboctahedra, and faces with four equivalent Cu(1)Ce4Co4Si4 cuboctahedra. Cu(1) is bonded to four equivalent Ce(1), four equivalent Co(1), and four equivalent Si(1) atoms to form distorted CuCe4Co4Si4 cuboctahedra that share corners with four equivalent Co(1)Ce4Cu4Si4 cuboctahedra, corners with twelve equivalent Cu(1)Ce4Co4Si4 cuboctahedra, edges with two equivalent Co(1)Ce4Cu4Si4 cuboctahedra, faces with four equivalent Co(1)Ce4Cu4Si4 cuboctahedra, and faces with four equivalent Cu(1)Ce4Co4Si4 cuboctahedra. Si(1) is bonded in a 9-coordinate geometry to four equivalent Ce(1), two equivalent Co(1), two equivalent Cu(1), and one Si(1) atom.
CeCoCuSi2 crystallizes in the tetragonal I-4m2 space group. Ce(1) is bonded in a 16-coordinate geometry to four equivalent Co(1), four equivalent Cu(1), and eight equivalent Si(1) atoms. All Ce(1)-Co(1) bond lengths are 3.17 Å. All Ce(1)-Cu(1) bond lengths are 3.17 Å. All Ce(1)-Si(1) bond lengths are 3.11 Å. Co(1) is bonded to four equivalent Ce(1), four equivalent Cu(1), and four equivalent Si(1) atoms to form distorted CoCe4Cu4Si4 cuboctahedra that share corners with four equivalent Cu(1)Ce4Co4Si4 cuboctahedra, corners with twelve equivalent Co(1)Ce4Cu4Si4 cuboctahedra, edges with two equivalent Cu(1)Ce4Co4Si4 cuboctahedra, faces with four equivalent Co(1)Ce4Cu4Si4 cuboctahedra, and faces with four equivalent Cu(1)Ce4Co4Si4 cuboctahedra. All Co(1)-Cu(1) bond lengths are 2.86 Å. All Co(1)-Si(1) bond lengths are 2.36 Å. Cu(1) is bonded to four equivalent Ce(1), four equivalent Co(1), and four equivalent Si(1) atoms to form distorted CuCe4Co4Si4 cuboctahedra that share corners with four equivalent Co(1)Ce4Cu4Si4 cuboctahedra, corners with twelve equivalent Cu(1)Ce4Co4Si4 cuboctahedra, edges with two equivalent Co(1)Ce4Cu4Si4 cuboctahedra, faces with four equivalent Co(1)Ce4Cu4Si4 cuboctahedra, and faces with four equivalent Cu(1)Ce4Co4Si4 cuboctahedra. All Cu(1)-Si(1) bond lengths are 2.36 Å. Si(1) is bonded in a 9-coordinate geometry to four equivalent Ce(1), two equivalent Co(1), two equivalent Cu(1), and one Si(1) atom. The Si(1)-Si(1) bond length is 2.44 Å.