Au4Zr crystallizes in the orthorhombic Pnma space group. Zr(1) is bonded to two equivalent Au(3), three equivalent Au(1), three equivalent Au(2), and four equivalent Au(4) atoms to form a mixture of face and edge-sharing ZrAu12 cuboctahedra. There are four inequivalent Au sites. In the first Au site, Au(1) is bonded in a distorted trigonal planar geometry to three equivalent Zr(1) atoms. In the second Au site, Au(2) is bonded in a 3-coordinate geometry to three equivalent Zr(1) atoms. In the third Au site, Au(3) is bonded to two equivalent Zr(1) atoms to form distorted corner-sharing AuZr2 cuboctahedra. In the fourth Au site, Au(4) is bonded in a 4-coordinate geometry to four equivalent Zr(1) atoms.
Au4Zr crystallizes in the orthorhombic Pnma space group. Zr(1) is bonded to two equivalent Au(3), three equivalent Au(1), three equivalent Au(2), and four equivalent Au(4) atoms to form a mixture of face and edge-sharing ZrAu12 cuboctahedra. Both Zr(1)-Au(3) bond lengths are 2.97 Å. There is one shorter (2.90 Å) and two longer (2.95 Å) Zr(1)-Au(1) bond lengths. There is one shorter (2.88 Å) and two longer (2.94 Å) Zr(1)-Au(2) bond lengths. There are a spread of Zr(1)-Au(4) bond distances ranging from 2.88-3.00 Å. There are four inequivalent Au sites. In the first Au site, Au(1) is bonded in a distorted trigonal planar geometry to three equivalent Zr(1) atoms. In the second Au site, Au(2) is bonded in a 3-coordinate geometry to three equivalent Zr(1) atoms. In the third Au site, Au(3) is bonded to two equivalent Zr(1) atoms to form distorted corner-sharing AuZr2 cuboctahedra. In the fourth Au site, Au(4) is bonded in a 4-coordinate geometry to four equivalent Zr(1) atoms.