Au4In3Sn3 crystallizes in the monoclinic Cm space group. There are four inequivalent Au sites. In the first Au site, Au(1) is bonded in a distorted body-centered cubic geometry to one Au(4), one In(1), three equivalent In(2), and three equivalent Sn(2) atoms. In the second Au site, Au(2) is bonded in a distorted body-centered cubic geometry to one Au(3), one In(2), three equivalent In(1), and three equivalent Sn(3) atoms. In the third Au site, Au(3) is bonded in a 8-coordinate geometry to one Au(2), one In(3), three equivalent Sn(1), and three equivalent Sn(3) atoms. In the fourth Au site, Au(4) is bonded in a 8-coordinate geometry to one Au(1), three equivalent In(3), one Sn(1), and three equivalent Sn(2) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded to one Au(1) and three equivalent Au(2) atoms to form a mixture of corner and edge-sharing InAu4 tetrahedra. In the second In site, In(2) is bonded to one Au(2) and three equivalent Au(1) atoms to form a mixture of distorted corner and edge-sharing InAu4 tetrahedra. In the third In site, In(3) is bonded to one Au(3) and three equivalent Au(4) atoms to form distorted InAu4 tetrahedra that share corners with six equivalent In(3)Au4 tetrahedra and edges with three equivalent Sn(1)Au4 tetrahedra. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one Au(4) and three equivalent Au(3) atoms to form SnAu4 tetrahedra that share corners with six equivalent Sn(1)Au4 tetrahedra and edges with three equivalent In(3)Au4 tetrahedra. In the second Sn site, Sn(2) is bonded in a 6-coordinate geometry to three equivalent Au(1) and three equivalent Au(4) atoms. In the third Sn site, Sn(3) is bonded in a 6-coordinate geometry to three equivalent Au(2) and three equivalent Au(3) atoms.
Au4In3Sn3 crystallizes in the monoclinic Cm space group. There are four inequivalent Au sites. In the first Au site, Au(1) is bonded in a distorted body-centered cubic geometry to one Au(4), one In(1), three equivalent In(2), and three equivalent Sn(2) atoms. The Au(1)-Au(4) bond length is 2.85 Å. The Au(1)-In(1) bond length is 2.85 Å. All Au(1)-In(2) bond lengths are 2.85 Å. There is one shorter (3.07 Å) and two longer (3.10 Å) Au(1)-Sn(2) bond lengths. In the second Au site, Au(2) is bonded in a distorted body-centered cubic geometry to one Au(3), one In(2), three equivalent In(1), and three equivalent Sn(3) atoms. The Au(2)-Au(3) bond length is 2.86 Å. The Au(2)-In(2) bond length is 2.88 Å. All Au(2)-In(1) bond lengths are 2.86 Å. There is one shorter (3.08 Å) and two longer (3.09 Å) Au(2)-Sn(3) bond lengths. In the third Au site, Au(3) is bonded in a 8-coordinate geometry to one Au(2), one In(3), three equivalent Sn(1), and three equivalent Sn(3) atoms. The Au(3)-In(3) bond length is 2.88 Å. There are two shorter (2.83 Å) and one longer (2.84 Å) Au(3)-Sn(1) bond length. There are two shorter (3.14 Å) and one longer (3.15 Å) Au(3)-Sn(3) bond length. In the fourth Au site, Au(4) is bonded in a 8-coordinate geometry to one Au(1), three equivalent In(3), one Sn(1), and three equivalent Sn(2) atoms. There are two shorter (2.82 Å) and one longer (2.83 Å) Au(4)-In(3) bond length. The Au(4)-Sn(1) bond length is 2.84 Å. There are two shorter (3.13 Å) and one longer (3.14 Å) Au(4)-Sn(2) bond length. There are three inequivalent In sites. In the first In site, In(1) is bonded to one Au(1) and three equivalent Au(2) atoms to form a mixture of corner and edge-sharing InAu4 tetrahedra. In the second In site, In(2) is bonded to one Au(2) and three equivalent Au(1) atoms to form a mixture of distorted corner and edge-sharing InAu4 tetrahedra. In the third In site, In(3) is bonded to one Au(3) and three equivalent Au(4) atoms to form distorted InAu4 tetrahedra that share corners with six equivalent In(3)Au4 tetrahedra and edges with three equivalent Sn(1)Au4 tetrahedra. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one Au(4) and three equivalent Au(3) atoms to form SnAu4 tetrahedra that share corners with six equivalent Sn(1)Au4 tetrahedra and edges with three equivalent In(3)Au4 tetrahedra. In the second Sn site, Sn(2) is bonded in a 6-coordinate geometry to three equivalent Au(1) and three equivalent Au(4) atoms. In the third Sn site, Sn(3) is bonded in a 6-coordinate geometry to three equivalent Au(2) and three equivalent Au(3) atoms.