Zr2CoCuSn2 crystallizes in the trigonal P3m1 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 9-coordinate geometry to three equivalent Cu(1), three equivalent Sn(1), and three equivalent Sn(2) atoms. In the second Zr site, Zr(2) is bonded in a 9-coordinate geometry to three equivalent Co(1), three equivalent Cu(1), three equivalent Sn(1), and three equivalent Sn(2) atoms. Co(1) is bonded in a 7-coordinate geometry to three equivalent Zr(2), one Sn(1), and three equivalent Sn(2) atoms. Cu(1) is bonded in a 10-coordinate geometry to three equivalent Zr(1), three equivalent Zr(2), one Sn(2), and three equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to three equivalent Zr(1), three equivalent Zr(2), one Co(1), and three equivalent Cu(1) atoms. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to three equivalent Zr(1), three equivalent Zr(2), three equivalent Co(1), and one Cu(1) atom.
Zr2CoCuSn2 crystallizes in the trigonal P3m1 space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 9-coordinate geometry to three equivalent Cu(1), three equivalent Sn(1), and three equivalent Sn(2) atoms. All Zr(1)-Cu(1) bond lengths are 2.80 Å. All Zr(1)-Sn(1) bond lengths are 3.14 Å. All Zr(1)-Sn(2) bond lengths are 3.02 Å. In the second Zr site, Zr(2) is bonded in a 9-coordinate geometry to three equivalent Co(1), three equivalent Cu(1), three equivalent Sn(1), and three equivalent Sn(2) atoms. All Zr(2)-Co(1) bond lengths are 2.72 Å. All Zr(2)-Cu(1) bond lengths are 3.46 Å. All Zr(2)-Sn(1) bond lengths are 3.05 Å. All Zr(2)-Sn(2) bond lengths are 3.03 Å. Co(1) is bonded in a 7-coordinate geometry to three equivalent Zr(2), one Sn(1), and three equivalent Sn(2) atoms. The Co(1)-Sn(1) bond length is 2.67 Å. All Co(1)-Sn(2) bond lengths are 2.62 Å. Cu(1) is bonded in a 10-coordinate geometry to three equivalent Zr(1), three equivalent Zr(2), one Sn(2), and three equivalent Sn(1) atoms. The Cu(1)-Sn(2) bond length is 2.82 Å. All Cu(1)-Sn(1) bond lengths are 2.62 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 10-coordinate geometry to three equivalent Zr(1), three equivalent Zr(2), one Co(1), and three equivalent Cu(1) atoms. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to three equivalent Zr(1), three equivalent Zr(2), three equivalent Co(1), and one Cu(1) atom.