Materials Data on Zn2CuAu by Materials Project

Abstract

AuCuZn2 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Au is bonded to four equivalent Cu and eight equivalent Zn atoms to form AuZn8Cu4 cuboctahedra that share corners with two equivalent AuZn8Cu4 cuboctahedra, corners with eight equivalent CuZn8Au4 cuboctahedra, edges with six equivalent AuZn8Cu4 cuboctahedra, faces with six equivalent AuZn8Cu4 cuboctahedra, and faces with six equivalent CuZn8Au4 cuboctahedra. There are two shorter (2.78 Å) and two longer (2.83 Å) Au–Cu bond lengths. There are a spread of Au–Zn bond distances ranging from 2.72–2.74 Å. Cu is bonded to four equivalent Au and eight equivalent Zn atoms to form CuZn8Au4 cuboctahedra that share corners with two equivalent CuZn8Au4 cuboctahedra, corners with eight equivalent AuZn8Cu4 cuboctahedra, edges with six equivalent CuZn8Au4 cuboctahedra, faces with six equivalent AuZn8Cu4 cuboctahedra, and faces with six equivalent CuZn8Au4 cuboctahedra. There are a spread of Cu–Zn bond distances ranging from 2.71–2.75 Å. Zn is bonded in a 12-coordinate geometry to four equivalent Au, four equivalent Cu, and four equivalent Zn atoms. There are two shorter (2.78 Å) and two longer (2.82 Å) Zn–Zn bond lengths.