Au3Zr is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. Zr(1) is bonded to four equivalent Au(2) and eight equivalent Au(1) atoms to form a mixture of corner, face, and edge-sharing ZrAu12 cuboctahedra. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 4-coordinate geometry to four equivalent Zr(1) atoms. In the second Au site, Au(2) is bonded in a 4-coordinate geometry to four equivalent Zr(1) atoms.
Au3Zr is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. Zr(1) is bonded to four equivalent Au(2) and eight equivalent Au(1) atoms to form a mixture of corner, face, and edge-sharing ZrAu12 cuboctahedra. There are two shorter (2.90 Å) and two longer (3.06 Å) Zr(1)-Au(2) bond lengths. There are a spread of Zr(1)-Au(1) bond distances ranging from 2.89-2.98 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 4-coordinate geometry to four equivalent Zr(1) atoms. In the second Au site, Au(2) is bonded in a 4-coordinate geometry to four equivalent Zr(1) atoms.