Ca5Au3 crystallizes in the monoclinic C2/m space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one Au(1), two equivalent Au(2), and two equivalent Au(3) atoms to form a mixture of distorted corner, face, and edge-sharing CaAu5 trigonal bipyramids. In the second Ca site, Ca(2) is bonded to one Au(1), two equivalent Au(2), and two equivalent Au(3) atoms to form a mixture of distorted corner, face, and edge-sharing CaAu5 trigonal bipyramids. In the third Ca site, Ca(3) is bonded to one Au(2), two equivalent Au(1), and two equivalent Au(3) atoms to form a mixture of distorted corner, face, and edge-sharing CaAu5 trigonal bipyramids. In the fourth Ca site, Ca(4) is bonded in a distorted square co-planar geometry to two equivalent Au(1), two equivalent Au(2), and two equivalent Au(3) atoms. There are three inequivalent Au sites. In the first Au site, Au(1) is bonded in a 8-coordinate geometry to one Ca(1), one Ca(2), two equivalent Ca(4), and four equivalent Ca(3) atoms. In the second Au site, Au(2) is bonded in a 8-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), two equivalent Ca(3), and two equivalent Ca(4) atoms. In the third Au site, Au(3) is bonded in a 10-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), two equivalent Ca(4), and four equivalent Ca(3) atoms.
Ca5Au3 crystallizes in the monoclinic C2/m space group. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one Au(1), two equivalent Au(2), and two equivalent Au(3) atoms to form a mixture of distorted corner, face, and edge-sharing CaAu5 trigonal bipyramids. The Ca(1)-Au(1) bond length is 3.06 Å. Both Ca(1)-Au(2) bond lengths are 3.16 Å. Both Ca(1)-Au(3) bond lengths are 3.29 Å. In the second Ca site, Ca(2) is bonded to one Au(1), two equivalent Au(2), and two equivalent Au(3) atoms to form a mixture of distorted corner, face, and edge-sharing CaAu5 trigonal bipyramids. The Ca(2)-Au(1) bond length is 3.06 Å. Both Ca(2)-Au(2) bond lengths are 3.16 Å. Both Ca(2)-Au(3) bond lengths are 3.29 Å. In the third Ca site, Ca(3) is bonded to one Au(2), two equivalent Au(1), and two equivalent Au(3) atoms to form a mixture of distorted corner, face, and edge-sharing CaAu5 trigonal bipyramids. The Ca(3)-Au(2) bond length is 3.06 Å. Both Ca(3)-Au(1) bond lengths are 3.16 Å. There is one shorter (3.28 Å) and one longer (3.29 Å) Ca(3)-Au(3) bond length. In the fourth Ca site, Ca(4) is bonded in a distorted square co-planar geometry to two equivalent Au(1), two equivalent Au(2), and two equivalent Au(3) atoms. Both Ca(4)-Au(1) bond lengths are 3.08 Å. Both Ca(4)-Au(2) bond lengths are 3.08 Å. Both Ca(4)-Au(3) bond lengths are 3.64 Å. There are three inequivalent Au sites. In the first Au site, Au(1) is bonded in a 8-coordinate geometry to one Ca(1), one Ca(2), two equivalent Ca(4), and four equivalent Ca(3) atoms. In the second Au site, Au(2) is bonded in a 8-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), two equivalent Ca(3), and two equivalent Ca(4) atoms. In the third Au site, Au(3) is bonded in a 10-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), two equivalent Ca(4), and four equivalent Ca(3) atoms.