MgAu3 is Uranium Silicide-like structured and crystallizes in the orthorhombic Cmcm space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one Au(6), one Au(7), two equivalent Au(1), two equivalent Au(2), two equivalent Au(3), two equivalent Au(4), and two equivalent Au(5) atoms to form a mixture of face, corner, and edge-sharing MgAu12 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Au(2), two equivalent Au(3), two equivalent Au(4), two equivalent Au(7), and four equivalent Au(1) atoms to form a mixture of face, corner, and edge-sharing MgAu12 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Au(2), two equivalent Au(3), two equivalent Au(4), two equivalent Au(6), and four equivalent Au(5) atoms to form a mixture of face, corner, and edge-sharing MgAu12 cuboctahedra. There are seven inequivalent Au sites. In the first Au site, Au(5) is bonded in a distorted square co-planar geometry to two equivalent Mg(1) and two equivalent Mg(3) atoms. In the second Au site, Au(6) is bonded in a distorted see-saw-like geometry to two equivalent Mg(1) and two equivalent Mg(3) atoms. In the third Au site, Au(7) is bonded in a distorted see-saw-like geometry to two equivalent Mg(1) and two equivalent Mg(2) atoms. In the fourth Au site, Au(1) is bonded to two equivalent Mg(1) and two equivalent Mg(2) atoms to form a mixture of distorted corner and edge-sharing AuMg4 cuboctahedra. In the fifth Au site, Au(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(2), one Mg(3), and two equivalent Mg(1) atoms. In the sixth Au site, Au(3) is bonded in a distorted see-saw-like geometry to one Mg(2), one Mg(3), and two equivalent Mg(1) atoms. In the seventh Au site, Au(4) is bonded in a 4-coordinate geometry to one Mg(2), one Mg(3), and two equivalent Mg(1) atoms.
MgAu3 is Uranium Silicide-like structured and crystallizes in the orthorhombic Cmcm space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one Au(6), one Au(7), two equivalent Au(1), two equivalent Au(2), two equivalent Au(3), two equivalent Au(4), and two equivalent Au(5) atoms to form a mixture of face, corner, and edge-sharing MgAu12 cuboctahedra. The Mg(1)-Au(6) bond length is 2.91 Å. The Mg(1)-Au(7) bond length is 2.88 Å. Both Mg(1)-Au(1) bond lengths are 2.89 Å. Both Mg(1)-Au(2) bond lengths are 2.88 Å. Both Mg(1)-Au(3) bond lengths are 2.92 Å. Both Mg(1)-Au(4) bond lengths are 2.89 Å. Both Mg(1)-Au(5) bond lengths are 2.92 Å. In the second Mg site, Mg(2) is bonded to two equivalent Au(2), two equivalent Au(3), two equivalent Au(4), two equivalent Au(7), and four equivalent Au(1) atoms to form a mixture of face, corner, and edge-sharing MgAu12 cuboctahedra. Both Mg(2)-Au(2) bond lengths are 2.93 Å. Both Mg(2)-Au(3) bond lengths are 2.93 Å. Both Mg(2)-Au(4) bond lengths are 2.88 Å. Both Mg(2)-Au(7) bond lengths are 2.88 Å. All Mg(2)-Au(1) bond lengths are 2.89 Å. In the third Mg site, Mg(3) is bonded to two equivalent Au(2), two equivalent Au(3), two equivalent Au(4), two equivalent Au(6), and four equivalent Au(5) atoms to form a mixture of face, corner, and edge-sharing MgAu12 cuboctahedra. Both Mg(3)-Au(2) bond lengths are 2.89 Å. Both Mg(3)-Au(3) bond lengths are 2.93 Å. Both Mg(3)-Au(4) bond lengths are 2.87 Å. Both Mg(3)-Au(6) bond lengths are 2.88 Å. All Mg(3)-Au(5) bond lengths are 2.92 Å. There are seven inequivalent Au sites. In the first Au site, Au(5) is bonded in a distorted square co-planar geometry to two equivalent Mg(1) and two equivalent Mg(3) atoms. In the second Au site, Au(6) is bonded in a distorted see-saw-like geometry to two equivalent Mg(1) and two equivalent Mg(3) atoms. In the third Au site, Au(7) is bonded in a distorted see-saw-like geometry to two equivalent Mg(1) and two equivalent Mg(2) atoms. In the fourth Au site, Au(1) is bonded to two equivalent Mg(1) and two equivalent Mg(2) atoms to form a mixture of distorted corner and edge-sharing AuMg4 cuboctahedra. In the fifth Au site, Au(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(2), one Mg(3), and two equivalent Mg(1) atoms. In the sixth Au site, Au(3) is bonded in a distorted see-saw-like geometry to one Mg(2), one Mg(3), and two equivalent Mg(1) atoms. In the seventh Au site, Au(4) is bonded in a 4-coordinate geometry to one Mg(2), one Mg(3), and two equivalent Mg(1) atoms.