ZrBCu is half-Heusler structured and crystallizes in the cubic F-43m space group. Zr(1) is bonded to six equivalent Cu(1) and four equivalent B(1) atoms to form a mixture of distorted face and corner-sharing ZrCu6B4 tetrahedra. Cu(1) is bonded in a 10-coordinate geometry to six equivalent Zr(1) and four equivalent B(1) atoms. B(1) is bonded in a body-centered cubic geometry to four equivalent Zr(1) and four equivalent Cu(1) atoms.
ZrBCu is half-Heusler structured and crystallizes in the cubic F-43m space group. Zr(1) is bonded to six equivalent Cu(1) and four equivalent B(1) atoms to form a mixture of distorted face and corner-sharing ZrCu6B4 tetrahedra. All Zr(1)-Cu(1) bond lengths are 2.77 Å. All Zr(1)-B(1) bond lengths are 2.40 Å. Cu(1) is bonded in a 10-coordinate geometry to six equivalent Zr(1) and four equivalent B(1) atoms. All Cu(1)-B(1) bond lengths are 2.40 Å. B(1) is bonded in a body-centered cubic geometry to four equivalent Zr(1) and four equivalent Cu(1) atoms.