Au4Zr crystallizes in the orthorhombic Pnma space group. Zr(1) is bonded in a 11-coordinate geometry to two equivalent Au(1), three equivalent Au(2), three equivalent Au(3), and three equivalent Au(4) atoms. There are four inequivalent Au sites. In the first Au site, Au(1) is bonded in a 11-coordinate geometry to two equivalent Zr(1), one Au(2), two equivalent Au(1), two equivalent Au(3), and four equivalent Au(4) atoms. In the second Au site, Au(2) is bonded in a 8-coordinate geometry to three equivalent Zr(1), one Au(1), two equivalent Au(2), and two equivalent Au(3) atoms. In the third Au site, Au(3) is bonded in a 3-coordinate geometry to three equivalent Zr(1), two equivalent Au(1), and two equivalent Au(2) atoms. In the fourth Au site, Au(4) is bonded in a distorted trigonal planar geometry to three equivalent Zr(1) and four equivalent Au(1) atoms.
Au4Zr crystallizes in the orthorhombic Pnma space group. Zr(1) is bonded in a 11-coordinate geometry to two equivalent Au(1), three equivalent Au(2), three equivalent Au(3), and three equivalent Au(4) atoms. Both Zr(1)-Au(1) bond lengths are 3.10 Å. There is one shorter (2.87 Å) and two longer (3.02 Å) Zr(1)-Au(2) bond lengths. All Zr(1)-Au(3) bond lengths are 3.00 Å. There are a spread of Zr(1)-Au(4) bond distances ranging from 2.85-2.89 Å. There are four inequivalent Au sites. In the first Au site, Au(1) is bonded in a 11-coordinate geometry to two equivalent Zr(1), one Au(2), two equivalent Au(1), two equivalent Au(3), and four equivalent Au(4) atoms. The Au(1)-Au(2) bond length is 2.83 Å. Both Au(1)-Au(1) bond lengths are 2.74 Å. There is one shorter (3.07 Å) and one longer (3.18 Å) Au(1)-Au(3) bond length. There are two shorter (2.88 Å) and two longer (3.23 Å) Au(1)-Au(4) bond lengths. In the second Au site, Au(2) is bonded in a 8-coordinate geometry to three equivalent Zr(1), one Au(1), two equivalent Au(2), and two equivalent Au(3) atoms. Both Au(2)-Au(2) bond lengths are 2.84 Å. There is one shorter (2.67 Å) and one longer (2.70 Å) Au(2)-Au(3) bond length. In the third Au site, Au(3) is bonded in a 3-coordinate geometry to three equivalent Zr(1), two equivalent Au(1), and two equivalent Au(2) atoms. In the fourth Au site, Au(4) is bonded in a distorted trigonal planar geometry to three equivalent Zr(1) and four equivalent Au(1) atoms.