ZrCuSi2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal P4/nmm space group. Zr(1) is bonded to four equivalent Cu(1), four equivalent Si(1), and four equivalent Si(2) atoms to form distorted ZrCu4Si8 cuboctahedra that share corners with four equivalent Zr(1)Cu4Si8 cuboctahedra, edges with eight equivalent Zr(1)Cu4Si8 cuboctahedra, edges with eight equivalent Cu(1)Zr4Cu4Si4 cuboctahedra, faces with four equivalent Zr(1)Cu4Si8 cuboctahedra, and faces with four equivalent Cu(1)Zr4Cu4Si4 cuboctahedra. Cu(1) is bonded to four equivalent Zr(1), four equivalent Cu(1), and four equivalent Si(1) atoms to form CuZr4Cu4Si4 cuboctahedra that share corners with four equivalent Cu(1)Zr4Cu4Si4 cuboctahedra, edges with eight equivalent Zr(1)Cu4Si8 cuboctahedra, faces with four equivalent Zr(1)Cu4Si8 cuboctahedra, and faces with eight equivalent Cu(1)Zr4Cu4Si4 cuboctahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to four equivalent Zr(1) and four equivalent Cu(1) atoms. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to four equivalent Zr(1) and four equivalent Si(2) atoms.
ZrCuSi2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal P4/nmm space group. Zr(1) is bonded to four equivalent Cu(1), four equivalent Si(1), and four equivalent Si(2) atoms to form distorted ZrCu4Si8 cuboctahedra that share corners with four equivalent Zr(1)Cu4Si8 cuboctahedra, edges with eight equivalent Zr(1)Cu4Si8 cuboctahedra, edges with eight equivalent Cu(1)Zr4Cu4Si4 cuboctahedra, faces with four equivalent Zr(1)Cu4Si8 cuboctahedra, and faces with four equivalent Cu(1)Zr4Cu4Si4 cuboctahedra. All Zr(1)-Cu(1) bond lengths are 3.06 Å. All Zr(1)-Si(1) bond lengths are 2.76 Å. All Zr(1)-Si(2) bond lengths are 2.83 Å. Cu(1) is bonded to four equivalent Zr(1), four equivalent Cu(1), and four equivalent Si(1) atoms to form CuZr4Cu4Si4 cuboctahedra that share corners with four equivalent Cu(1)Zr4Cu4Si4 cuboctahedra, edges with eight equivalent Zr(1)Cu4Si8 cuboctahedra, faces with four equivalent Zr(1)Cu4Si8 cuboctahedra, and faces with eight equivalent Cu(1)Zr4Cu4Si4 cuboctahedra. All Cu(1)-Cu(1) bond lengths are 2.62 Å. All Cu(1)-Si(1) bond lengths are 2.42 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 8-coordinate geometry to four equivalent Zr(1) and four equivalent Cu(1) atoms. In the second Si site, Si(2) is bonded in a 8-coordinate geometry to four equivalent Zr(1) and four equivalent Si(2) atoms. All Si(2)-Si(2) bond lengths are 2.62 Å.