BaAu5 crystallizes in the hexagonal P6/mmm space group. Ba(1) is bonded in a 18-coordinate geometry to six equivalent Au(1) and twelve equivalent Au(2) atoms. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 9-coordinate geometry to three equivalent Ba(1) and six equivalent Au(2) atoms. In the second Au site, Au(2) is bonded to four equivalent Ba(1), four equivalent Au(1), and four equivalent Au(2) atoms to form a mixture of face, corner, and edge-sharing AuBa4Au8 cuboctahedra.
BaAu5 crystallizes in the hexagonal P6/mmm space group. Ba(1) is bonded in a 18-coordinate geometry to six equivalent Au(1) and twelve equivalent Au(2) atoms. All Ba(1)-Au(1) bond lengths are 3.38 Å. All Ba(1)-Au(2) bond lengths are 3.70 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 9-coordinate geometry to three equivalent Ba(1) and six equivalent Au(2) atoms. All Au(1)-Au(2) bond lengths are 2.82 Å. In the second Au site, Au(2) is bonded to four equivalent Ba(1), four equivalent Au(1), and four equivalent Au(2) atoms to form a mixture of face, corner, and edge-sharing AuBa4Au8 cuboctahedra. All Au(2)-Au(2) bond lengths are 2.93 Å.