Zr8Co3Cu is Khatyrkite-derived structured and crystallizes in the orthorhombic C222 space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 4-coordinate geometry to two equivalent Co(2) and two equivalent Cu(1) atoms. In the second Zr site, Zr(2) is bonded in a 4-coordinate geometry to two equivalent Co(1) and two equivalent Co(3) atoms. In the third Zr site, Zr(3) is bonded in a 4-coordinate geometry to one Co(1), one Co(2), one Co(3), and one Cu(1) atom. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 8-coordinate geometry to four equivalent Zr(2) and four equivalent Zr(3) atoms. In the second Co site, Co(2) is bonded in a 10-coordinate geometry to four equivalent Zr(1), four equivalent Zr(3), and two equivalent Cu(1) atoms. In the third Co site, Co(3) is bonded in a 8-coordinate geometry to four equivalent Zr(2) and four equivalent Zr(3) atoms. Cu(1) is bonded in a 10-coordinate geometry to four equivalent Zr(1), four equivalent Zr(3), and two equivalent Co(2) atoms.
Zr8Co3Cu is Khatyrkite-derived structured and crystallizes in the orthorhombic C222 space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 4-coordinate geometry to two equivalent Co(2) and two equivalent Cu(1) atoms. Both Zr(1)-Co(2) bond lengths are 2.76 Å. Both Zr(1)-Cu(1) bond lengths are 2.76 Å. In the second Zr site, Zr(2) is bonded in a 4-coordinate geometry to two equivalent Co(1) and two equivalent Co(3) atoms. Both Zr(2)-Co(1) bond lengths are 2.76 Å. Both Zr(2)-Co(3) bond lengths are 2.76 Å. In the third Zr site, Zr(3) is bonded in a 4-coordinate geometry to one Co(1), one Co(2), one Co(3), and one Cu(1) atom. The Zr(3)-Co(1) bond length is 2.69 Å. The Zr(3)-Co(2) bond length is 2.81 Å. The Zr(3)-Co(3) bond length is 2.71 Å. The Zr(3)-Cu(1) bond length is 2.83 Å. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 8-coordinate geometry to four equivalent Zr(2) and four equivalent Zr(3) atoms. In the second Co site, Co(2) is bonded in a 10-coordinate geometry to four equivalent Zr(1), four equivalent Zr(3), and two equivalent Cu(1) atoms. Both Co(2)-Cu(1) bond lengths are 2.72 Å. In the third Co site, Co(3) is bonded in a 8-coordinate geometry to four equivalent Zr(2) and four equivalent Zr(3) atoms. Cu(1) is bonded in a 10-coordinate geometry to four equivalent Zr(1), four equivalent Zr(3), and two equivalent Co(2) atoms.