Dy4In5S13 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a 8-coordinate geometry to one S(4), one S(5), two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms. In the second Dy site, Dy(2) is bonded in a 7-coordinate geometry to one S(5), two equivalent S(1), two equivalent S(2), and two equivalent S(6) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded to two equivalent S(4) and four equivalent S(3) atoms to form InS6 octahedra that share corners with four equivalent In(2)S6 octahedra, corners with four equivalent In(3)S4 tetrahedra, and edges with two equivalent In(1)S6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the second In site, In(2) is bonded to one S(1), one S(6), two equivalent S(4), and two equivalent S(7) atoms to form InS6 octahedra that share corners with two equivalent In(1)S6 octahedra, corners with two equivalent In(2)S6 octahedra,  a cornercorner with one In(3)S4 tetrahedra, and edges with three equivalent In(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. In the third In site, In(3) is bonded to one S(3), one S(6), and two equivalent S(5) atoms to form distorted InS4 tetrahedra that share  a cornercorner with one In(2)S6 octahedra, corners with two equivalent In(1)S6 octahedra, and corners with two equivalent In(3)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 62-63°. There are seven inequivalent S sites. In the first S site, S(5) is bonded to one Dy(1), one Dy(2), and two equivalent In(3) atoms to form SDy2In2 tetrahedra that share  a cornercorner with one S(4)DyIn3 tetrahedra, corners with two equivalent S(5)Dy2In2 tetrahedra, corners with four equivalent S(6)Dy2In2 tetrahedra, and edges with two equivalent S(1)Dy4In trigonal bipyramids. In the second S site, S(6) is bonded to two equivalent Dy(2), one In(2), and one In(3) atom to form SDy2In2 tetrahedra that share corners with two equivalent S(6)Dy2In2 tetrahedra, corners with two equivalent S(4)DyIn3 tetrahedra, corners with four equivalent S(5)Dy2In2 tetrahedra, corners with three equivalent S(1)Dy4In trigonal bipyramids, and  an edgeedge with one S(1)Dy4In trigonal bipyramid. In the third S site, S(7) is bonded in a square co-planar geometry to four equivalent In(2) atoms. In the fourth S site, S(1) is bonded to two equivalent Dy(1), two equivalent Dy(2), and one In(2) atom to form distorted SDy4In trigonal bipyramids that share corners with three equivalent S(6)Dy2In2 tetrahedra,  an edgeedge with one S(6)Dy2In2 tetrahedra, edges with two equivalent S(5)Dy2In2 tetrahedra, edges with two equivalent S(4)DyIn3 tetrahedra, and edges with two equivalent S(1)Dy4In trigonal bipyramids. In the fifth S site, S(2) is bonded in a distorted square co-planar geometry to two equivalent Dy(1) and two equivalent Dy(2) atoms. In the sixth S site, S(3) is bonded in a 5-coordinate geometry to two equivalent Dy(1), one In(3), and two equivalent In(1) atoms. In the seventh S site, S(4) is bonded to one Dy(1), one In(1), and two equivalent In(2) atoms to form SDyIn3 tetrahedra that share  a cornercorner with one S(5)Dy2In2 tetrahedra, corners with two equivalent S(6)Dy2In2 tetrahedra, corners with three equivalent S(4)DyIn3 tetrahedra, and edges with two equivalent S(1)Dy4In trigonal bipyramids.
Dy4In5S13 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a 8-coordinate geometry to one S(4), one S(5), two equivalent S(1), two equivalent S(2), and two equivalent S(3) atoms. The Dy(1)-S(4) bond length is 2.87 Å. The Dy(1)-S(5) bond length is 2.84 Å. Both Dy(1)-S(1) bond lengths are 2.91 Å. Both Dy(1)-S(2) bond lengths are 2.80 Å. Both Dy(1)-S(3) bond lengths are 3.10 Å. In the second Dy site, Dy(2) is bonded in a 7-coordinate geometry to one S(5), two equivalent S(1), two equivalent S(2), and two equivalent S(6) atoms. The Dy(2)-S(5) bond length is 2.84 Å. Both Dy(2)-S(1) bond lengths are 2.88 Å. Both Dy(2)-S(2) bond lengths are 2.83 Å. Both Dy(2)-S(6) bond lengths are 2.83 Å. There are three inequivalent In sites. In the first In site, In(1) is bonded to two equivalent S(4) and four equivalent S(3) atoms to form InS6 octahedra that share corners with four equivalent In(2)S6 octahedra, corners with four equivalent In(3)S4 tetrahedra, and edges with two equivalent In(1)S6 octahedra. The corner-sharing octahedral tilt angles are 54°. Both In(1)-S(4) bond lengths are 2.48 Å. All In(1)-S(3) bond lengths are 2.81 Å. In the second In site, In(2) is bonded to one S(1), one S(6), two equivalent S(4), and two equivalent S(7) atoms to form InS6 octahedra that share corners with two equivalent In(1)S6 octahedra, corners with two equivalent In(2)S6 octahedra,  a cornercorner with one In(3)S4 tetrahedra, and edges with three equivalent In(2)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. The In(2)-S(1) bond length is 2.75 Å. The In(2)-S(6) bond length is 2.63 Å. Both In(2)-S(4) bond lengths are 2.60 Å. Both In(2)-S(7) bond lengths are 2.68 Å. In the third In site, In(3) is bonded to one S(3), one S(6), and two equivalent S(5) atoms to form distorted InS4 tetrahedra that share  a cornercorner with one In(2)S6 octahedra, corners with two equivalent In(1)S6 octahedra, and corners with two equivalent In(3)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 62-63°. The In(3)-S(3) bond length is 2.52 Å. The In(3)-S(6) bond length is 2.53 Å. Both In(3)-S(5) bond lengths are 2.48 Å. There are seven inequivalent S sites. In the first S site, S(5) is bonded to one Dy(1), one Dy(2), and two equivalent In(3) atoms to form SDy2In2 tetrahedra that share  a cornercorner with one S(4)DyIn3 tetrahedra, corners with two equivalent S(5)Dy2In2 tetrahedra, corners with four equivalent S(6)Dy2In2 tetrahedra, and edges with two equivalent S(1)Dy4In trigonal bipyramids. In the second S site, S(6) is bonded to two equivalent Dy(2), one In(2), and one In(3) atom to form SDy2In2 tetrahedra that share corners with two equivalent S(6)Dy2In2 tetrahedra, corners with two equivalent S(4)DyIn3 tetrahedra, corners with four equivalent S(5)Dy2In2 tetrahedra, corners with three equivalent S(1)Dy4In trigonal bipyramids, and  an edgeedge with one S(1)Dy4In trigonal bipyramid. In the third S site, S(7) is bonded in a square co-planar geometry to four equivalent In(2) atoms. In the fourth S site, S(1) is bonded to two equivalent Dy(1), two equivalent Dy(2), and one In(2) atom to form distorted SDy4In trigonal bipyramids that share corners with three equivalent S(6)Dy2In2 tetrahedra,  an edgeedge with one S(6)Dy2In2 tetrahedra, edges with two equivalent S(5)Dy2In2 tetrahedra, edges with two equivalent S(4)DyIn3 tetrahedra, and edges with two equivalent S(1)Dy4In trigonal bipyramids. In the fifth S site, S(2) is bonded in a distorted square co-planar geometry to two equivalent Dy(1) and two equivalent Dy(2) atoms. In the sixth S site, S(3) is bonded in a 5-coordinate geometry to two equivalent Dy(1), one In(3), and two equivalent In(1) atoms. In the seventh S site, S(4) is bonded to one Dy(1), one In(1), and two equivalent In(2) atoms to form SDyIn3 tetrahedra that share  a cornercorner with one S(5)Dy2In2 tetrahedra, corners with two equivalent S(6)Dy2In2 tetrahedra, corners with three equivalent S(4)DyIn3 tetrahedra, and edges with two equivalent S(1)Dy4In trigonal bipyramids.