Zr3Cu4Si2 crystallizes in the hexagonal P-62m space group. Zr(1) is bonded in a 11-coordinate geometry to one Cu(1), six equivalent Cu(2), and four equivalent Si(1) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted trigonal planar geometry to three equivalent Zr(1) and six equivalent Cu(2) atoms. In the second Cu site, Cu(2) is bonded to six equivalent Zr(1), two equivalent Cu(1), two equivalent Cu(2), and two equivalent Si(1) atoms to form a mixture of distorted corner, edge, and face-sharing CuZr6Cu4Si2 cuboctahedra. Si(1) is bonded in a 9-coordinate geometry to six equivalent Zr(1) and three equivalent Cu(2) atoms.
Zr3Cu4Si2 crystallizes in the hexagonal P-62m space group. Zr(1) is bonded in a 11-coordinate geometry to one Cu(1), six equivalent Cu(2), and four equivalent Si(1) atoms. The Zr(1)-Cu(1) bond length is 2.60 Å. There are two shorter (2.95 Å) and four longer (3.02 Å) Zr(1)-Cu(2) bond lengths. All Zr(1)-Si(1) bond lengths are 2.76 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted trigonal planar geometry to three equivalent Zr(1) and six equivalent Cu(2) atoms. All Cu(1)-Cu(2) bond lengths are 2.53 Å. In the second Cu site, Cu(2) is bonded to six equivalent Zr(1), two equivalent Cu(1), two equivalent Cu(2), and two equivalent Si(1) atoms to form a mixture of distorted corner, edge, and face-sharing CuZr6Cu4Si2 cuboctahedra. Both Cu(2)-Cu(2) bond lengths are 2.70 Å. Both Cu(2)-Si(1) bond lengths are 2.44 Å. Si(1) is bonded in a 9-coordinate geometry to six equivalent Zr(1) and three equivalent Cu(2) atoms.