Dy2ZrS5 crystallizes in the orthorhombic Pnma space group. Dy(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. Zr(1) is bonded to one S(2), one S(3), one S(4), and four equivalent S(1) atoms to form distorted edge-sharing ZrS7 pentagonal bipyramids. There are four inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Dy(1) and two equivalent Zr(1) atoms to form distorted SDy2Zr2 tetrahedra that share corners with four equivalent S(3)Dy4Zr square pyramids, corners with six equivalent S(1)Dy2Zr2 tetrahedra, corners with two equivalent S(2)Dy4Zr trigonal bipyramids, corners with two equivalent S(4)Dy4Zr trigonal bipyramids,  an edgeedge with one S(3)Dy4Zr square pyramid,  an edgeedge with one S(1)Dy2Zr2 tetrahedra, edges with two equivalent S(2)Dy4Zr trigonal bipyramids, and edges with two equivalent S(4)Dy4Zr trigonal bipyramids. In the second S site, S(2) is bonded to four equivalent Dy(1) and one Zr(1) atom to form distorted SDy4Zr trigonal bipyramids that share corners with five equivalent S(3)Dy4Zr square pyramids, corners with four equivalent S(1)Dy2Zr2 tetrahedra,  a cornercorner with one S(4)Dy4Zr trigonal bipyramid, corners with four equivalent S(2)Dy4Zr trigonal bipyramids, edges with two equivalent S(3)Dy4Zr square pyramids, edges with four equivalent S(1)Dy2Zr2 tetrahedra, and edges with four equivalent S(4)Dy4Zr trigonal bipyramids. In the third S site, S(3) is bonded to four equivalent Dy(1) and one Zr(1) atom to form SDy4Zr square pyramids that share corners with eight equivalent S(1)Dy2Zr2 tetrahedra, corners with four equivalent S(4)Dy4Zr trigonal bipyramids, corners with five equivalent S(2)Dy4Zr trigonal bipyramids, edges with two equivalent S(3)Dy4Zr square pyramids, edges with two equivalent S(1)Dy2Zr2 tetrahedra,  an edgeedge with one S(4)Dy4Zr trigonal bipyramid, edges with two equivalent S(2)Dy4Zr trigonal bipyramids, and  a faceface with one S(4)Dy4Zr trigonal bipyramid. In the fourth S site, S(4) is bonded to four equivalent Dy(1) and one Zr(1) atom to form distorted SDy4Zr trigonal bipyramids that share corners with four equivalent S(3)Dy4Zr square pyramids, corners with four equivalent S(1)Dy2Zr2 tetrahedra,  a cornercorner with one S(2)Dy4Zr trigonal bipyramid, corners with four equivalent S(4)Dy4Zr trigonal bipyramids,  an edgeedge with one S(3)Dy4Zr square pyramid, edges with four equivalent S(1)Dy2Zr2 tetrahedra, edges with four equivalent S(2)Dy4Zr trigonal bipyramids, and  a faceface with one S(3)Dy4Zr square pyramid.
Dy2ZrS5 crystallizes in the orthorhombic Pnma space group. Dy(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. There is one shorter (2.80 Å) and one longer (2.82 Å) Dy(1)-S(1) bond length. There is one shorter (2.85 Å) and one longer (2.98 Å) Dy(1)-S(2) bond length. There is one shorter (2.85 Å) and one longer (2.87 Å) Dy(1)-S(3) bond length. There is one shorter (2.81 Å) and one longer (2.85 Å) Dy(1)-S(4) bond length. Zr(1) is bonded to one S(2), one S(3), one S(4), and four equivalent S(1) atoms to form distorted edge-sharing ZrS7 pentagonal bipyramids. The Zr(1)-S(2) bond length is 2.71 Å. The Zr(1)-S(3) bond length is 2.70 Å. The Zr(1)-S(4) bond length is 2.61 Å. There are two shorter (2.52 Å) and two longer (2.66 Å) Zr(1)-S(1) bond lengths. There are four inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Dy(1) and two equivalent Zr(1) atoms to form distorted SDy2Zr2 tetrahedra that share corners with four equivalent S(3)Dy4Zr square pyramids, corners with six equivalent S(1)Dy2Zr2 tetrahedra, corners with two equivalent S(2)Dy4Zr trigonal bipyramids, corners with two equivalent S(4)Dy4Zr trigonal bipyramids,  an edgeedge with one S(3)Dy4Zr square pyramid,  an edgeedge with one S(1)Dy2Zr2 tetrahedra, edges with two equivalent S(2)Dy4Zr trigonal bipyramids, and edges with two equivalent S(4)Dy4Zr trigonal bipyramids. In the second S site, S(2) is bonded to four equivalent Dy(1) and one Zr(1) atom to form distorted SDy4Zr trigonal bipyramids that share corners with five equivalent S(3)Dy4Zr square pyramids, corners with four equivalent S(1)Dy2Zr2 tetrahedra,  a cornercorner with one S(4)Dy4Zr trigonal bipyramid, corners with four equivalent S(2)Dy4Zr trigonal bipyramids, edges with two equivalent S(3)Dy4Zr square pyramids, edges with four equivalent S(1)Dy2Zr2 tetrahedra, and edges with four equivalent S(4)Dy4Zr trigonal bipyramids. In the third S site, S(3) is bonded to four equivalent Dy(1) and one Zr(1) atom to form SDy4Zr square pyramids that share corners with eight equivalent S(1)Dy2Zr2 tetrahedra, corners with four equivalent S(4)Dy4Zr trigonal bipyramids, corners with five equivalent S(2)Dy4Zr trigonal bipyramids, edges with two equivalent S(3)Dy4Zr square pyramids, edges with two equivalent S(1)Dy2Zr2 tetrahedra,  an edgeedge with one S(4)Dy4Zr trigonal bipyramid, edges with two equivalent S(2)Dy4Zr trigonal bipyramids, and  a faceface with one S(4)Dy4Zr trigonal bipyramid. In the fourth S site, S(4) is bonded to four equivalent Dy(1) and one Zr(1) atom to form distorted SDy4Zr trigonal bipyramids that share corners with four equivalent S(3)Dy4Zr square pyramids, corners with four equivalent S(1)Dy2Zr2 tetrahedra,  a cornercorner with one S(2)Dy4Zr trigonal bipyramid, corners with four equivalent S(4)Dy4Zr trigonal bipyramids,  an edgeedge with one S(3)Dy4Zr square pyramid, edges with four equivalent S(1)Dy2Zr2 tetrahedra, edges with four equivalent S(2)Dy4Zr trigonal bipyramids, and  a faceface with one S(3)Dy4Zr square pyramid.