CuZr crystallizes in the monoclinic Cm space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 7-coordinate geometry to one Cu(2), two equivalent Cu(1), and four equivalent Cu(3) atoms. In the second Zr site, Zr(2) is bonded in a 7-coordinate geometry to one Cu(1), two equivalent Cu(2), and four equivalent Cu(3) atoms. In the third Zr site, Zr(3) is bonded in a 7-coordinate geometry to two equivalent Cu(1), two equivalent Cu(2), and three equivalent Cu(3) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 10-coordinate geometry to one Zr(2), two equivalent Zr(1), four equivalent Zr(3), one Cu(2), and two equivalent Cu(3) atoms. In the second Cu site, Cu(2) is bonded in a 10-coordinate geometry to one Zr(1), two equivalent Zr(2), four equivalent Zr(3), one Cu(1), and two equivalent Cu(3) atoms. In the third Cu site, Cu(3) is bonded in a 9-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), three equivalent Zr(3), one Cu(1), and one Cu(2) atom.
CuZr crystallizes in the monoclinic Cm space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 7-coordinate geometry to one Cu(2), two equivalent Cu(1), and four equivalent Cu(3) atoms. The Zr(1)-Cu(2) bond length is 3.02 Å. There is one shorter (2.88 Å) and one longer (2.93 Å) Zr(1)-Cu(1) bond length. There are two shorter (2.67 Å) and two longer (2.78 Å) Zr(1)-Cu(3) bond lengths. In the second Zr site, Zr(2) is bonded in a 7-coordinate geometry to one Cu(1), two equivalent Cu(2), and four equivalent Cu(3) atoms. The Zr(2)-Cu(1) bond length is 2.84 Å. There is one shorter (2.66 Å) and one longer (2.79 Å) Zr(2)-Cu(2) bond length. There are two shorter (2.75 Å) and two longer (2.80 Å) Zr(2)-Cu(3) bond lengths. In the third Zr site, Zr(3) is bonded in a 7-coordinate geometry to two equivalent Cu(1), two equivalent Cu(2), and three equivalent Cu(3) atoms. There is one shorter (2.72 Å) and one longer (2.79 Å) Zr(3)-Cu(1) bond length. There is one shorter (2.73 Å) and one longer (2.81 Å) Zr(3)-Cu(2) bond length. There are a spread of Zr(3)-Cu(3) bond distances ranging from 2.73-2.91 Å. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 10-coordinate geometry to one Zr(2), two equivalent Zr(1), four equivalent Zr(3), one Cu(2), and two equivalent Cu(3) atoms. The Cu(1)-Cu(2) bond length is 2.70 Å. Both Cu(1)-Cu(3) bond lengths are 2.59 Å. In the second Cu site, Cu(2) is bonded in a 10-coordinate geometry to one Zr(1), two equivalent Zr(2), four equivalent Zr(3), one Cu(1), and two equivalent Cu(3) atoms. Both Cu(2)-Cu(3) bond lengths are 2.55 Å. In the third Cu site, Cu(3) is bonded in a 9-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), three equivalent Zr(3), one Cu(1), and one Cu(2) atom.