Ca3Au4 crystallizes in the trigonal R-3 space group. Ca(1) is bonded in a 9-coordinate geometry to one Au(2), one Au(3), and seven equivalent Au(1) atoms. There are three inequivalent Au sites. In the first Au site, Au(2) is bonded to six equivalent Ca(1) atoms to form distorted face-sharing AuCa6 octahedra. In the second Au site, Au(1) is bonded in a 10-coordinate geometry to seven equivalent Ca(1) and three equivalent Au(1) atoms. In the third Au site, Au(3) is bonded to six equivalent Ca(1) atoms to form distorted face-sharing AuCa6 octahedra.
Ca3Au4 crystallizes in the trigonal R-3 space group. Ca(1) is bonded in a 9-coordinate geometry to one Au(2), one Au(3), and seven equivalent Au(1) atoms. The Ca(1)-Au(2) bond length is 3.04 Å. The Ca(1)-Au(3) bond length is 2.97 Å. There are a spread of Ca(1)-Au(1) bond distances ranging from 2.95-3.38 Å. There are three inequivalent Au sites. In the first Au site, Au(2) is bonded to six equivalent Ca(1) atoms to form distorted face-sharing AuCa6 octahedra. In the second Au site, Au(1) is bonded in a 10-coordinate geometry to seven equivalent Ca(1) and three equivalent Au(1) atoms. There is one shorter (2.94 Å) and two longer (3.03 Å) Au(1)-Au(1) bond lengths. In the third Au site, Au(3) is bonded to six equivalent Ca(1) atoms to form distorted face-sharing AuCa6 octahedra.