Materials Data on ZrCrCu by Materials Project

Abstract

CuCrZr crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Zr, six equivalent Cr, and six equivalent Cu atoms. There are two shorter (3.08 Å) and two longer (3.09 Å) Zr–Zr bond lengths. There are two shorter (2.96 Å) and four longer (2.99 Å) Zr–Cr bond lengths. There are four shorter (2.83 Å) and two longer (3.10 Å) Zr–Cu bond lengths. Cr is bonded to six equivalent Zr, two equivalent Cr, and four equivalent Cu atoms to form CrZr6Cr2Cu4 cuboctahedra that share corners with eight equivalent CuZr6Cr4Cu2 cuboctahedra, corners with ten equivalent CrZr6Cr2Cu4 cuboctahedra, edges with six equivalent CrZr6Cr2Cu4 cuboctahedra, faces with six equivalent CrZr6Cr2Cu4 cuboctahedra, and faces with twelve equivalent CuZr6Cr4Cu2 cuboctahedra. Both Cr–Cr bond lengths are 2.37 Å. All Cr–Cu bond lengths are 2.54 Å. Cu is bonded to six equivalent Zr, four equivalent Cr, and two equivalent Cu atoms to form CuZr6Cr4Cu2 cuboctahedra that share corners with eight equivalent CrZr6Cr2Cu4 cuboctahedra, corners with ten equivalent CuZr6Cr4Cu2 cuboctahedra, edges with six equivalent CuZr6Cr4Cu2 cuboctahedra, faces with six equivalent CuZr6Cr4Cu2 cuboctahedra, and faces with twelve equivalent CrZr6Cr2Cu4 cuboctahedra. Both Cu–Cu bond lengths are 2.57 Å.